PubChemLite - Nsc615314 (C23H21N5O2)

Structural Information

Molecular Formula

SMILES

C/C(=N\NC(=O)C1=CC=CC=C1)/C2=NC(=CC=C2)/C(=N/NC(=O)C3=CC=CC=C3)/C

InChI

InChI=1S/C23H21N5O2/c1-16(25-27-22(29)18-10-5-3-6-11-18)20-14-9-15-21(24-20)17(2)26-28-23(30)19-12-7-4-8-13-19/h3-15H,1-2H3,(H,27,29)(H,28,30)/b25-16+,26-17+

InChIKey

YLNRZOOIJRXBLH-ZZZAPRPPSA-N

Compound name

N-[(E)-1-[6-[(E)-N-benzamido-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]benzamide

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]+	400.17681	196.2
[M+Na]+	422.15875	198.2
[M-H]-	398.16225	206.2
[M+NH4]+	417.20335	204.3
[M+K]+	438.13269	194.5
[M+H-H2O]+	382.16679	184.0
[M+HCOO]-	444.16773	221.6
[M+CH3COO]-	458.18338	235.5
[M+Na-2H]-	420.14420	200.0
[M]+	399.16898	194.7
[M]-	399.17008	194.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

400.17681

196.2

[M+Na]+

422.15875

198.2

[M-H]-

398.16225

206.2

[M+NH4]+

417.20335

204.3

[M+K]+

438.13269

194.5

[M+H-H2O]+

382.16679

184.0

[M+HCOO]-

444.16773

221.6

[M+CH3COO]-

458.18338

235.5

[M+Na-2H]-

420.14420

200.0

[M]+

399.16898

194.7

[M]-

399.17008

194.7

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

Nsc615314

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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