PubChemLite - 372184-98-0 (C25H18F6N2O3)

Structural Information

Molecular Formula

SMILES

COC1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C25H18F6N2O3/c1-36-20-10-8-15(9-11-20)12-21(22(34)32-18-6-2-4-16(13-18)24(26,27)28)23(35)33-19-7-3-5-17(14-19)25(29,30)31/h2-14H,1H3,(H,32,34)(H,33,35)

InChIKey

HCRUMPMNGGEWGH-UHFFFAOYSA-N

Compound name

2-[(4-methoxyphenyl)methylidene]-N,N'-bis[3-(trifluoromethyl)phenyl]propanediamide

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]+	509.12944	215.9
[M+Na]+	531.11138	221.0
[M-H]-	507.11488	217.3
[M+NH4]+	526.15598	220.8
[M+K]+	547.08532	214.7
[M+H-H2O]+	491.11942	200.8
[M+HCOO]-	553.12036	228.1
[M+CH3COO]-	567.13601	244.1
[M+Na-2H]-	529.09683	214.4
[M]+	508.12161	208.0
[M]-	508.12271	208.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

509.12944

215.9

[M+Na]+

531.11138

221.0

[M-H]-

507.11488

217.3

[M+NH4]+

526.15598

220.8

[M+K]+

547.08532

214.7

[M+H-H2O]+

491.11942

200.8

[M+HCOO]-

553.12036

228.1

[M+CH3COO]-

567.13601

244.1

[M+Na-2H]-

529.09683

214.4

[M]+

508.12161

208.0

[M]-

508.12271

208.0

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

372184-98-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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