CID 453356

114368-10-4

Structural Information

Molecular Formula
C13H11N3O
SMILES
CC1=NC2=C(C=C1)NC(=O)C3=CC=CC=C3N2
InChI
InChI=1S/C13H11N3O/c1-8-6-7-11-12(14-8)15-10-5-3-2-4-9(10)13(17)16-11/h2-7H,1H3,(H,14,15)(H,16,17)
InChIKey
DBDHTERUDQUZDQ-UHFFFAOYSA-N
Compound name
2-methyl-5,11-dihydropyrido[2,3-b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

225.09021 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09749 149.6
[M+Na]+ 248.07943 158.7
[M-H]- 224.08293 150.4
[M+NH4]+ 243.12403 164.1
[M+K]+ 264.05337 156.5
[M+H-H2O]+ 208.08747 141.9
[M+HCOO]- 270.08841 164.4
[M+CH3COO]- 284.10406 160.3
[M+Na-2H]- 246.06488 157.6
[M]+ 225.08966 144.2
[M]- 225.09076 144.2
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.