CID 6443804

Cinoxopazide

Structural Information

Molecular Formula
C20H25N3O4
SMILES
C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)/C=C/C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C20H25N3O4/c24-19(6-4-16-3-5-17-18(13-16)27-15-26-17)23-11-9-21(10-12-23)14-20(25)22-7-1-2-8-22/h3-6,13H,1-2,7-12,14-15H2/b6-4+
InChIKey
PZMLVXOVOLQCMP-GQCTYLIASA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

21
Patents

371.1845 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.191776 189.6
[M+Na]+ 394.173718 191.8
[M-H]- 370.177224 195.7
[M+NH4]+ 389.218323 198.2
[M+K]+ 410.147658 190.0
[M+H-H2O]+ 354.181760 180.0
[M+HCOO]- 416.182701 199.3
[M+CH3COO]- 430.198351 196.8
[M+Na-2H]- 392.159166 184.9
[M]+ 371.18395142 185.5
[M]- 371.18504858 185.5
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

patents stripe