CID 5279102

Schembl642398

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CCCC(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C19H19N3O2/c1-2-8-16(23)21-18-19(24)20-15-12-7-6-11-14(15)17(22-18)13-9-4-3-5-10-13/h3-7,9-12,18H,2,8H2,1H3,(H,20,24)(H,21,23)
InChIKey
YFCLKDAQFGCIHV-UHFFFAOYSA-N
Compound name
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

321.14774 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.155016 176.6
[M+Na]+ 344.136958 182.1
[M-H]- 320.140464 181.3
[M+NH4]+ 339.181563 187.4
[M+K]+ 360.110898 181.2
[M+H-H2O]+ 304.145000 167.6
[M+HCOO]- 366.145941 193.9
[M+CH3COO]- 380.161591 185.6
[M+Na-2H]- 342.122406 180.6
[M]+ 321.14719142 172.3
[M]- 321.14828858 172.3
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

patents stripe