CID 162345282

Ns00133065

Structural Information

Molecular Formula
C15H11ClN2O3
SMILES
C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)O
InChI
InChI=1S/C15H11ClN2O3/c16-8-5-6-11-10(7-8)13(18-15(21)14(20)17-11)9-3-1-2-4-12(9)19/h1-7,15,19,21H,(H,17,20)
InChIKey
LKLZOWPWRIRIKE-UHFFFAOYSA-N
Compound name
7-chloro-3-hydroxy-5-(2-hydroxyphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0458 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.053076 165.3
[M+Na]+ 325.035018 175.4
[M-H]- 301.038524 168.3
[M+NH4]+ 320.079623 177.4
[M+K]+ 341.008958 173.4
[M+H-H2O]+ 285.043060 157.9
[M+HCOO]- 347.044001 176.8
[M+CH3COO]- 361.059651 175.5
[M+Na-2H]- 323.020466 169.4
[M]+ 302.04525142 162.4
[M]- 302.04634858 162.4
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.