CID 343503

Nsc382958

Structural Information

Molecular Formula
C18H16ClN3O2
SMILES
CC1=CC2=C(C=C1C)N=CC(C(=O)N2)NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H16ClN3O2/c1-10-7-14-15(8-11(10)2)21-18(24)16(9-20-14)22-17(23)12-3-5-13(19)6-4-12/h3-9,16H,1-2H3,(H,21,24)(H,22,23)
InChIKey
LBCSZMUNALSOLI-UHFFFAOYSA-N
Compound name
4-chloro-N-(7,8-dimethyl-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

341.0931 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.100376 178.6
[M+Na]+ 364.082318 187.8
[M-H]- 340.085824 183.8
[M+NH4]+ 359.126923 190.3
[M+K]+ 380.056258 186.1
[M+H-H2O]+ 324.090360 170.1
[M+HCOO]- 386.091301 192.1
[M+CH3COO]- 400.106951 188.5
[M+Na-2H]- 362.067766 181.4
[M]+ 341.09255142 177.0
[M]- 341.09364858 177.0
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.