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
6
Annotation Hits

930
References

33775
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 165.9
[M+Na]+ 323.05578 180.7
[M+NH4]+ 318.10038 173.3
[M+K]+ 339.02972 174.0
[M-H]- 299.05928 169.3
[M+Na-2H]- 321.04123 173.4
[M]+ 300.06601 169.4
[M]- 300.06711 169.4
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

patents stripe