CID 343500

Nsc636988

Structural Information

Molecular Formula
C16H11Cl2N3O2
SMILES
C1=CC(=CC=C1C(=O)NC2C=NC3=C(C=C(C=C3)Cl)NC2=O)Cl
InChI
InChI=1S/C16H11Cl2N3O2/c17-10-3-1-9(2-4-10)15(22)21-14-8-19-12-6-5-11(18)7-13(12)20-16(14)23/h1-8,14H,(H,20,23)(H,21,22)
InChIKey
OIHOZKBCBMXETD-UHFFFAOYSA-N
Compound name
4-chloro-N-(8-chloro-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.02283 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.03011 174.0
[M+Na]+ 370.01205 184.1
[M-H]- 346.01555 178.2
[M+NH4]+ 365.05665 185.7
[M+K]+ 385.98599 181.8
[M+H-H2O]+ 330.02009 165.4
[M+HCOO]- 392.02103 183.5
[M+CH3COO]- 406.03668 183.8
[M+Na-2H]- 367.99750 178.0
[M]+ 347.02228 172.5
[M]- 347.02338 172.5
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.