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]+ 342.10038 178.6
[M+Na]+ 364.08232 187.8
[M-H]- 340.08582 183.8
[M+NH4]+ 359.12692 190.3
[M+K]+ 380.05626 186.1
[M+H-H2O]+ 324.09036 170.1
[M+HCOO]- 386.09130 192.1
[M+CH3COO]- 400.10695 188.5
[M+Na-2H]- 362.06777 181.4
[M]+ 341.09255 177.0
[M]- 341.09365 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.