CID 453245

16287-28-8

Structural Information

Molecular Formula
C13H11N3O
SMILES
CN1C2=CC=CC=C2NC3=C(C1=O)C=CC=N3
InChI
InChI=1S/C13H11N3O/c1-16-11-7-3-2-6-10(11)15-12-9(13(16)17)5-4-8-14-12/h2-8H,1H3,(H,14,15)
InChIKey
ONUDKSCEPDVUPP-UHFFFAOYSA-N
Compound name
6-methyl-11H-pyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

225.09021 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09749 148.9
[M+Na]+ 248.07943 158.3
[M-H]- 224.08293 150.9
[M+NH4]+ 243.12403 164.0
[M+K]+ 264.05337 156.8
[M+H-H2O]+ 208.08747 140.8
[M+HCOO]- 270.08841 165.1
[M+CH3COO]- 284.10406 160.2
[M+Na-2H]- 246.06488 157.2
[M]+ 225.08966 145.1
[M]- 225.09076 145.1
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.