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
2
Annotation Hits

1
References

89
Patents

370.10843 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.115706 184.8
[M+Na]+ 393.097648 193.2
[M-H]- 369.101154 189.7
[M+NH4]+ 388.142253 195.4
[M+K]+ 409.071588 192.2
[M+H-H2O]+ 353.105690 176.6
[M+HCOO]- 415.106631 195.3
[M+CH3COO]- 429.122281 213.5
[M+Na-2H]- 391.083096 187.9
[M]+ 370.10788142 184.7
[M]- 370.10897858 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

literature stripe

Patent stripe

patents stripe