CID 371095

Nsc645042

Structural Information

Molecular Formula
C15H11ClN2O
SMILES
C1C(=NC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H11ClN2O/c16-11-7-5-10(6-8-11)14-9-15(19)18-13-4-2-1-3-12(13)17-14/h1-8H,9H2,(H,18,19)
InChIKey
PHRODTFGFHUYEY-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-1,3-dihydro-1,5-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.056 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06328 158.2
[M+Na]+ 293.04522 167.8
[M-H]- 269.04872 162.8
[M+NH4]+ 288.08982 172.4
[M+K]+ 309.01916 165.1
[M+H-H2O]+ 253.05326 150.1
[M+HCOO]- 315.05420 172.1
[M+CH3COO]- 329.06985 169.3
[M+Na-2H]- 291.03067 164.4
[M]+ 270.05545 155.1
[M]- 270.05655 155.1
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.