PubChemLite - 9-ethyl-9h-carbazole-3-carbaldehyde [2-methyl-7-(trifluoromethyl)quinolin-4-yl]hydrazone (C26H21F3N4)

Structural Information

Molecular Formula

SMILES

CCN1C2=C(C=C(C=C2)/C=N/NC3=C4C=CC(=CC4=NC(=C3)C)C(F)(F)F)C5=CC=CC=C51

InChI

InChI=1S/C26H21F3N4/c1-3-33-24-7-5-4-6-19(24)21-13-17(8-11-25(21)33)15-30-32-23-12-16(2)31-22-14-18(26(27,28)29)9-10-20(22)23/h4-15H,3H2,1-2H3,(H,31,32)/b30-15+

InChIKey

RQCWHJNDBSKDRD-FJEPWZHXSA-N

Compound name

N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-2-methyl-7-(trifluoromethyl)quinolin-4-amine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	447.17912	210.9
[M+Na]+	469.16106	222.9
[M-H]-	445.16456	216.3
[M+NH4]+	464.20566	222.7
[M+K]+	485.13500	213.0
[M+H-H2O]+	429.16910	197.2
[M+HCOO]-	491.17004	229.5
[M+CH3COO]-	505.18569	219.8
[M+Na-2H]-	467.14651	216.2
[M]+	446.17129	213.1
[M]-	446.17239	213.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.17912

210.9

[M+Na]+

469.16106

222.9

[M-H]-

445.16456

216.3

[M+NH4]+

464.20566

222.7

[M+K]+

485.13500

213.0

[M+H-H2O]+

429.16910

197.2

[M+HCOO]-

491.17004

229.5

[M+CH3COO]-

505.18569

219.8

[M+Na-2H]-

467.14651

216.2

[M]+

446.17129

213.1

[M]-

446.17239

213.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

9-ethyl-9h-carbazole-3-carbaldehyde [2-methyl-7-(trifluoromethyl)quinolin-4-yl]hydrazone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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