CID 25215

Tetrazepam

Structural Information

Molecular Formula
C16H17ClN2O
SMILES
CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CCCCC3
InChI
InChI=1S/C16H17ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h5,7-9H,2-4,6,10H2,1H3
InChIKey
IQWYAQCHYZHJOS-UHFFFAOYSA-N
Compound name
7-chloro-5-(cyclohexen-1-yl)-1-methyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

124
References

2914
Patents

288.10294 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11022 164.4
[M+Na]+ 311.09216 172.7
[M-H]- 287.09566 169.7
[M+NH4]+ 306.13676 178.6
[M+K]+ 327.06610 170.9
[M+H-H2O]+ 271.10020 155.7
[M+HCOO]- 333.10114 176.6
[M+CH3COO]- 347.11679 174.9
[M+Na-2H]- 309.07761 167.8
[M]+ 288.10239 160.9
[M]- 288.10349 160.9
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