CID 453282

132687-07-1

Structural Information

Molecular Formula
C15H16N4O
SMILES
CCN1C2=C(C=CC(=C2)N)N(C(=O)C3=C1N=CC=C3)C
InChI
InChI=1S/C15H16N4O/c1-3-19-13-9-10(16)6-7-12(13)18(2)15(20)11-5-4-8-17-14(11)19/h4-9H,3,16H2,1-2H3
InChIKey
ZUKYCLFDJPLTJI-UHFFFAOYSA-N
Compound name
9-amino-11-ethyl-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

268.13242 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13970 163.3
[M+Na]+ 291.12164 173.2
[M-H]- 267.12514 166.5
[M+NH4]+ 286.16624 177.4
[M+K]+ 307.09558 172.3
[M+H-H2O]+ 251.12968 154.5
[M+HCOO]- 313.13062 180.6
[M+CH3COO]- 327.14627 174.2
[M+Na-2H]- 289.10709 169.1
[M]+ 268.13187 161.2
[M]- 268.13297 161.2
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