CID 465295

Imidazopyridobenzodiazepinone deriv.

Structural Information

Molecular Formula
C14H17N3O
SMILES
C1CCN2CC3=C4C(=CC=C3)NC(=O)N4CC2C1
InChI
InChI=1S/C14H17N3O/c18-14-15-12-6-3-4-10-8-16-7-2-1-5-11(16)9-17(14)13(10)12/h3-4,6,11H,1-2,5,7-9H2,(H,15,18)
InChIKey
XHTBLMREQXGDNH-UHFFFAOYSA-N
Compound name
3,10,12-triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(17),13,15-trien-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

243.13716 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.14444 154.7
[M+Na]+ 266.12638 163.1
[M-H]- 242.12988 156.7
[M+NH4]+ 261.17098 171.9
[M+K]+ 282.10032 160.0
[M+H-H2O]+ 226.13442 146.7
[M+HCOO]- 288.13536 168.4
[M+CH3COO]- 302.15101 165.2
[M+Na-2H]- 264.11183 160.5
[M]+ 243.13661 149.9
[M]- 243.13771 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.