CID 5279103

Schembl643277

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

321.14774 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.155016 175.8
[M+Na]+ 344.136958 181.1
[M-H]- 320.140464 180.6
[M+NH4]+ 339.181563 186.6
[M+K]+ 360.110898 180.9
[M+H-H2O]+ 304.145000 167.1
[M+HCOO]- 366.145941 192.3
[M+CH3COO]- 380.161591 184.8
[M+Na-2H]- 342.122406 178.9
[M]+ 321.14719142 171.1
[M]- 321.14828858 171.1
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