CID 367241

Nsc636785

Structural Information

Molecular Formula
C23H19N3O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3C=NC4=CC=CC=C4NC3=O
InChI
InChI=1S/C23H19N3O2/c27-22-20(15-24-18-13-7-8-14-19(18)25-22)26-23(28)21(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,20-21H,(H,25,27)(H,26,28)
InChIKey
LHYQKIKOSPTFDN-UHFFFAOYSA-N
Compound name
N-(2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.14774 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.15502 189.6
[M+Na]+ 392.13696 193.6
[M-H]- 368.14046 196.6
[M+NH4]+ 387.18156 197.5
[M+K]+ 408.11090 191.9
[M+H-H2O]+ 352.14500 179.6
[M+HCOO]- 414.14594 205.7
[M+CH3COO]- 428.16159 197.2
[M+Na-2H]- 390.12241 193.6
[M]+ 369.14719 183.1
[M]- 369.14829 183.1
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.