CID 453244

132686-97-6

Structural Information

Molecular Formula
C20H17N3O
SMILES
CN1C2=CC=CC=C2N(C3=C(C1=O)C=CC=N3)CC4=CC=CC=C4
InChI
InChI=1S/C20H17N3O/c1-22-17-11-5-6-12-18(17)23(14-15-8-3-2-4-9-15)19-16(20(22)24)10-7-13-21-19/h2-13H,14H2,1H3
InChIKey
PGMDQXYPQSTTCJ-UHFFFAOYSA-N
Compound name
11-benzyl-6-methylpyrido[3,2-c][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

315.13718 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.14446 177.5
[M+Na]+ 338.12640 186.5
[M-H]- 314.12990 183.2
[M+NH4]+ 333.17100 189.3
[M+K]+ 354.10034 183.6
[M+H-H2O]+ 298.13444 167.3
[M+HCOO]- 360.13538 193.7
[M+CH3COO]- 374.15103 187.4
[M+Na-2H]- 336.11185 183.7
[M]+ 315.13663 175.3
[M]- 315.13773 175.3
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.