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

literature stripe

Patent stripe

patents stripe