CID 5279104

Schembl643033

Structural Information

Molecular Formula
C20H21N3O2
SMILES
CC(C)(C)C(=O)NC1C(=O)NC2=CC=CC=C2C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C20H21N3O2/c1-20(2,3)19(25)23-17-18(24)21-15-12-8-7-11-14(15)16(22-17)13-9-5-4-6-10-13/h4-12,17H,1-3H3,(H,21,24)(H,23,25)
InChIKey
OBXWDUBVANAVKY-UHFFFAOYSA-N
Compound name
2,2-dimethyl-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

335.1634 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 181.5
[M+Na]+ 358.15262 187.1
[M-H]- 334.15612 186.4
[M+NH4]+ 353.19722 192.0
[M+K]+ 374.12656 186.7
[M+H-H2O]+ 318.16066 173.0
[M+HCOO]- 380.16160 197.0
[M+CH3COO]- 394.17725 211.8
[M+Na-2H]- 356.13807 185.9
[M]+ 335.16285 177.1
[M]- 335.16395 177.1
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