PubChemLite - Revizinone (C26H29N5O3)

Structural Information

Molecular Formula

SMILES

CN(C1CCCCC1)C(=O)CO/N=C(\C2=CC=CC=C2)/C3=CC4=C(C=C3)N=C5NC(=O)CN5C4

InChI

InChI=1S/C26H29N5O3/c1-30(21-10-6-3-7-11-21)24(33)17-34-29-25(18-8-4-2-5-9-18)19-12-13-22-20(14-19)15-31-16-23(32)28-26(31)27-22/h2,4-5,8-9,12-14,21H,3,6-7,10-11,15-17H2,1H3,(H,27,28,32)/b29-25+

InChIKey

VHDUUXNHZLBGHQ-XLVZBRSZSA-N

Compound name

N-cyclohexyl-N-methyl-2-[(E)-[(2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)-phenylmethylidene]amino]oxyacetamide

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]+	460.23433	206.3
[M+Na]+	482.21627	206.6
[M-H]-	458.21977	212.7
[M+NH4]+	477.26087	212.5
[M+K]+	498.19021	201.8
[M+H-H2O]+	442.22431	193.5
[M+HCOO]-	504.22525	218.2
[M+CH3COO]-	518.24090	211.5
[M+Na-2H]-	480.20172	205.6
[M]+	459.22650	201.1
[M]-	459.22760	201.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

460.23433

206.3

[M+Na]+

482.21627

206.6

[M-H]-

458.21977

212.7

[M+NH4]+

477.26087

212.5

[M+K]+

498.19021

201.8

[M+H-H2O]+

442.22431

193.5

[M+HCOO]-

504.22525

218.2

[M+CH3COO]-

518.24090

211.5

[M+Na-2H]-

480.20172

205.6

[M]+

459.22650

201.1

[M]-

459.22760

201.1

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

Revizinone

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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