CID 453251

132686-75-0

Structural Information

Molecular Formula
C15H15N3O
SMILES
CCN1C2=CC=CC=C2N(C(=O)C3=C1N=CC=C3)C
InChI
InChI=1S/C15H15N3O/c1-3-18-13-9-5-4-8-12(13)17(2)15(19)11-7-6-10-16-14(11)18/h4-10H,3H2,1-2H3
InChIKey
QIBWCUCLHZVYNL-UHFFFAOYSA-N
Compound name
11-ethyl-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

253.1215 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.128776 157.4
[M+Na]+ 276.110718 167.2
[M-H]- 252.114224 160.6
[M+NH4]+ 271.155323 172.3
[M+K]+ 292.084658 166.0
[M+H-H2O]+ 236.118760 148.8
[M+HCOO]- 298.119701 174.2
[M+CH3COO]- 312.135351 168.7
[M+Na-2H]- 274.096166 164.3
[M]+ 253.12095142 156.3
[M]- 253.12204858 156.3
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

patents stripe