CID 453353

132932-27-5

Structural Information

Molecular Formula
C16H17N3O
SMILES
CCN1C2=C(C=C(C=C2)C)C(=O)N(C3=C1N=CC=C3)C
InChI
InChI=1S/C16H17N3O/c1-4-19-13-8-7-11(2)10-12(13)16(20)18(3)14-6-5-9-17-15(14)19/h5-10H,4H2,1-3H3
InChIKey
FVWGHCOXOCWOOO-UHFFFAOYSA-N
Compound name
11-ethyl-5,8-dimethylpyrido[2,3-b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

267.13718 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.144456 162.1
[M+Na]+ 290.126398 172.3
[M-H]- 266.129904 165.5
[M+NH4]+ 285.171003 176.7
[M+K]+ 306.100338 171.1
[M+H-H2O]+ 250.134440 153.5
[M+HCOO]- 312.135381 178.6
[M+CH3COO]- 326.151031 173.3
[M+Na-2H]- 288.111846 167.8
[M]+ 267.13663142 161.7
[M]- 267.13772858 161.7
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