CID 453305

133626-94-5

Structural Information

Molecular Formula
C22H19N3O2
SMILES
CCN1C2=C(C=CC(=C2)C(=O)C3=CC=CC=C3)N(C(=O)C4=C1N=CC=C4)C
InChI
InChI=1S/C22H19N3O2/c1-3-25-19-14-16(20(26)15-8-5-4-6-9-15)11-12-18(19)24(2)22(27)17-10-7-13-23-21(17)25/h4-14H,3H2,1-2H3
InChIKey
VOSMLBUQQZKIIM-UHFFFAOYSA-N
Compound name
9-benzoyl-11-ethyl-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.14774 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15502 187.9
[M+Na]+ 380.13696 196.7
[M-H]- 356.14046 193.8
[M+NH4]+ 375.18156 198.1
[M+K]+ 396.11090 194.4
[M+H-H2O]+ 340.14500 177.6
[M+HCOO]- 402.14594 202.9
[M+CH3COO]- 416.16159 197.1
[M+Na-2H]- 378.12241 191.6
[M]+ 357.14719 186.8
[M]- 357.14829 186.8
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

No patent data available for this compound.