CID 14275474

4'-hydroxyclobazam

Structural Information

Molecular Formula
C16H13ClN2O3
SMILES
CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)O
InChI
InChI=1S/C16H13ClN2O3/c1-18-13-7-2-10(17)8-14(13)19(16(22)9-15(18)21)11-3-5-12(20)6-4-11/h2-8,20H,9H2,1H3
InChIKey
NKSXJAYACJZMBM-UHFFFAOYSA-N
Compound name
7-chloro-5-(4-hydroxyphenyl)-1-methyl-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.06146 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06874 168.9
[M+Na]+ 339.05068 179.5
[M-H]- 315.05418 174.3
[M+NH4]+ 334.09528 181.9
[M+K]+ 355.02462 178.3
[M+H-H2O]+ 299.05872 160.9
[M+HCOO]- 361.05966 181.6
[M+CH3COO]- 375.07531 179.8
[M+Na-2H]- 337.03613 171.7
[M]+ 316.06091 168.0
[M]- 316.06201 168.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.