CID 367240

Nsc636783

Structural Information

Molecular Formula
C23H17Cl2N3O2
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2Cl)C(=O)NC3C=NC4=C(C=C(C=C4)Cl)NC3=O
InChI
InChI=1S/C23H17Cl2N3O2/c24-15-10-11-18-19(12-15)27-22(29)20(13-26-18)28-23(30)21(14-6-2-1-3-7-14)16-8-4-5-9-17(16)25/h1-13,20-21H,(H,27,29)(H,28,30)
InChIKey
MQLJQWXJBSGWQS-UHFFFAOYSA-N
Compound name
N-(8-chloro-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)-2-(2-chlorophenyl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.0698 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.07708 199.4
[M+Na]+ 460.05902 207.7
[M-H]- 436.06252 205.8
[M+NH4]+ 455.10362 207.1
[M+K]+ 476.03296 204.6
[M+H-H2O]+ 420.06706 189.3
[M+HCOO]- 482.06800 207.0
[M+CH3COO]- 496.08365 207.0
[M+Na-2H]- 458.04447 201.3
[M]+ 437.06925 197.8
[M]- 437.07035 197.8
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.