CID 453304

133626-93-4

Structural Information

Molecular Formula
C15H12ClN3O
SMILES
C=CCN1C2=C(C=CC(=C2)Cl)NC3=C(C1=O)C=CC=N3
InChI
InChI=1S/C15H12ClN3O/c1-2-8-19-13-9-10(16)5-6-12(13)18-14-11(15(19)20)4-3-7-17-14/h2-7,9H,1,8H2,(H,17,18)
InChIKey
OSPOSCDADJEQQI-UHFFFAOYSA-N
Compound name
8-chloro-6-prop-2-enyl-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.0669 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07418 162.4
[M+Na]+ 308.05612 173.4
[M-H]- 284.05962 163.8
[M+NH4]+ 303.10072 176.2
[M+K]+ 324.03006 169.8
[M+H-H2O]+ 268.06416 153.8
[M+HCOO]- 330.06510 173.7
[M+CH3COO]- 344.08075 172.9
[M+Na-2H]- 306.04157 168.6
[M]+ 285.06635 160.7
[M]- 285.06745 160.7
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.