CID 453273

133626-67-2

Structural Information

Molecular Formula
C15H15N3O
SMILES
CCN1C2=CC=CC(=C2NC(=O)C3=C1N=CC=C3)C
InChI
InChI=1S/C15H15N3O/c1-3-18-12-8-4-6-10(2)13(12)17-15(19)11-7-5-9-16-14(11)18/h4-9H,3H2,1-2H3,(H,17,19)
InChIKey
GSLBQKHXBYDHEM-UHFFFAOYSA-N
Compound name
11-ethyl-7-methyl-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

253.1215 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12878 158.1
[M+Na]+ 276.11072 167.6
[M-H]- 252.11422 160.1
[M+NH4]+ 271.15532 172.4
[M+K]+ 292.08466 165.8
[M+H-H2O]+ 236.11876 149.9
[M+HCOO]- 298.11970 173.6
[M+CH3COO]- 312.13535 168.9
[M+Na-2H]- 274.09617 164.7
[M]+ 253.12095 155.4
[M]- 253.12205 155.4
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.