CID 3061463

79276-54-3

Structural Information

Molecular Formula
C17H13N5O2
SMILES
C1=CC=C2C(=C1)C(=O)NC3=C(N2C(=O)CN4C=CN=C4)N=CC=C3
InChI
InChI=1S/C17H13N5O2/c23-15(10-21-9-8-18-11-21)22-14-6-2-1-4-12(14)17(24)20-13-5-3-7-19-16(13)22/h1-9,11H,10H2,(H,20,24)
InChIKey
NEAAJZBBXMQAHW-UHFFFAOYSA-N
Compound name
11-(2-imidazol-1-ylacetyl)-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.10693 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.11421 175.5
[M+Na]+ 342.09615 184.6
[M-H]- 318.09965 178.3
[M+NH4]+ 337.14075 185.3
[M+K]+ 358.07009 181.4
[M+H-H2O]+ 302.10419 163.8
[M+HCOO]- 364.10513 189.1
[M+CH3COO]- 378.12078 184.4
[M+Na-2H]- 340.08160 179.7
[M]+ 319.10638 172.3
[M]- 319.10748 172.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.