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

26
Patents

321.14774 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 175.8
[M+Na]+ 344.13696 181.1
[M-H]- 320.14046 180.6
[M+NH4]+ 339.18156 186.6
[M+K]+ 360.11090 180.9
[M+H-H2O]+ 304.14500 167.1
[M+HCOO]- 366.14594 192.3
[M+CH3COO]- 380.16159 184.8
[M+Na-2H]- 342.12241 178.9
[M]+ 321.14719 171.1
[M]- 321.14829 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.