CID 367357

Nsc636996

Structural Information

Molecular Formula
C16H12ClN3O2
SMILES
C1=CC=C(C(=C1)C(=O)NC2C=NC3=CC=CC=C3NC2=O)Cl
InChI
InChI=1S/C16H12ClN3O2/c17-11-6-2-1-5-10(11)15(21)20-14-9-18-12-7-3-4-8-13(12)19-16(14)22/h1-9,14H,(H,19,22)(H,20,21)
InChIKey
QKWBGQFWIALDAT-UHFFFAOYSA-N
Compound name
2-chloro-N-(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

313.0618 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.06908 169.1
[M+Na]+ 336.05102 177.4
[M-H]- 312.05452 173.9
[M+NH4]+ 331.09562 181.2
[M+K]+ 352.02496 175.7
[M+H-H2O]+ 296.05906 160.5
[M+HCOO]- 358.06000 183.2
[M+CH3COO]- 372.07565 179.1
[M+Na-2H]- 334.03647 174.4
[M]+ 313.06125 166.0
[M]- 313.06235 166.0
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.