PubChemLite - 132785-15-0 (C32H24N4O2)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)/C=N/NC(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C32H24N4O2/c37-31(22-18-25-11-5-2-6-12-25)35-33-23-26-15-19-27(20-16-26)36-30(21-17-24-9-3-1-4-10-24)34-29-14-8-7-13-28(29)32(36)38/h1-23H,(H,35,37)/b21-17+,22-18+,33-23+

InChIKey

VBGHJFQNBLEZAL-VVADIMOESA-N

Compound name

(E)-N-[(E)-[4-[4-oxo-2-[(E)-2-phenylethenyl]quinazolin-3-yl]phenyl]methylideneamino]-3-phenylprop-2-enamide

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]+	497.19718	225.0
[M+Na]+	519.17912	230.2
[M-H]-	495.18262	235.6
[M+NH4]+	514.22372	228.3
[M+K]+	535.15306	220.1
[M+H-H2O]+	479.18716	209.7
[M+HCOO]-	541.18810	245.4
[M+CH3COO]-	555.20375	231.1
[M+Na-2H]-	517.16457	228.9
[M]+	496.18935	223.8
[M]-	496.19045	223.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

497.19718

225.0

[M+Na]+

519.17912

230.2

[M-H]-

495.18262

235.6

[M+NH4]+

514.22372

228.3

[M+K]+

535.15306

220.1

[M+H-H2O]+

479.18716

209.7

[M+HCOO]-

541.18810

245.4

[M+CH3COO]-

555.20375

231.1

[M+Na-2H]-

517.16457

228.9

[M]+

496.18935

223.8

[M]-

496.19045

223.8

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

132785-15-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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