CID 5391

Temazepam

Structural Information

Molecular Formula
C16H13ClN2O2
SMILES
CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3
InChI
InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3
InChIKey
SEQDDYPDSLOBDC-UHFFFAOYSA-N
Compound name
7-chloro-3-hydroxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1079
References

38909
Patents

300.06656 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07384 165.7
[M+Na]+ 323.05578 176.5
[M-H]- 299.05928 171.1
[M+NH4]+ 318.10038 179.4
[M+K]+ 339.02972 174.8
[M+H-H2O]+ 283.06382 157.8
[M+HCOO]- 345.06476 179.5
[M+CH3COO]- 359.08041 177.0
[M+Na-2H]- 321.04123 170.1
[M]+ 300.06601 165.2
[M]- 300.06711 165.2
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.