CID 68722

Pivoxazepam

Structural Information

Molecular Formula
C20H19ClN2O3
SMILES
CC(C)(C)C(=O)OC1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
InChI
InChI=1S/C20H19ClN2O3/c1-20(2,3)19(25)26-18-17(24)22-15-10-9-13(21)11-14(15)16(23-18)12-7-5-4-6-8-12/h4-11,18H,1-3H3,(H,22,24)
InChIKey
FTJLKTBLZOULCL-UHFFFAOYSA-N
Compound name
(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

86
Patents

370.10843 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.11571 184.8
[M+Na]+ 393.09765 193.2
[M-H]- 369.10115 189.7
[M+NH4]+ 388.14225 195.4
[M+K]+ 409.07159 192.2
[M+H-H2O]+ 353.10569 176.6
[M+HCOO]- 415.10663 195.3
[M+CH3COO]- 429.12228 213.5
[M+Na-2H]- 391.08310 187.9
[M]+ 370.10788 184.7
[M]- 370.10898 184.7
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.