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

24
Patents

321.14774 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 176.6
[M+Na]+ 344.13696 182.1
[M-H]- 320.14046 181.3
[M+NH4]+ 339.18156 187.4
[M+K]+ 360.11090 181.2
[M+H-H2O]+ 304.14500 167.6
[M+HCOO]- 366.14594 193.9
[M+CH3COO]- 380.16159 185.6
[M+Na-2H]- 342.12241 180.6
[M]+ 321.14719 172.3
[M]- 321.14829 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

No patent data available for this compound.