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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.