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
2
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]+ 317.068736 168.9
[M+Na]+ 339.050678 179.5
[M-H]- 315.054184 174.3
[M+NH4]+ 334.095283 181.9
[M+K]+ 355.024618 178.3
[M+H-H2O]+ 299.058720 160.9
[M+HCOO]- 361.059661 181.6
[M+CH3COO]- 375.075311 179.8
[M+Na-2H]- 337.036126 171.7
[M]+ 316.06091142 168.0
[M]- 316.06200858 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.