PubChemLite - 204203-14-5 (C33H43N3)

Structural Information

Molecular Formula

SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)N=C(C)C2=NC(=CC=C2)C(=NC3=C(C=CC=C3C(C)C)C(C)C)C

InChI

InChI=1S/C33H43N3/c1-20(2)26-14-11-15-27(21(3)4)32(26)34-24(9)30-18-13-19-31(36-30)25(10)35-33-28(22(5)6)16-12-17-29(33)23(7)8/h11-23H,1-10H3

InChIKey

NVPUVWBDTWBFRF-UHFFFAOYSA-N

Compound name

N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pyridin-2-yl]ethanimine

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]+	482.35298	227.0
[M+Na]+	504.33492	229.1
[M-H]-	480.33842	236.8
[M+NH4]+	499.37952	233.7
[M+K]+	520.30886	224.3
[M+H-H2O]+	464.34296	215.2
[M+HCOO]-	526.34390	244.1
[M+CH3COO]-	540.35955	259.3
[M+Na-2H]-	502.32037	219.1
[M]+	481.34515	229.6
[M]-	481.34625	229.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

482.35298

227.0

[M+Na]+

504.33492

229.1

[M-H]-

480.33842

236.8

[M+NH4]+

499.37952

233.7

[M+K]+

520.30886

224.3

[M+H-H2O]+

464.34296

215.2

[M+HCOO]-

526.34390

244.1

[M+CH3COO]-

540.35955

259.3

[M+Na-2H]-

502.32037

219.1

[M]+

481.34515

229.6

[M]-

481.34625

229.6

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

204203-14-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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