CID 176880

Alepride

Structural Information

Molecular Formula
C22H30ClN3O2
SMILES
C=CCOC1=CC(=C(C=C1C(=O)NC2CCN(CC2)CC3CCC=CC3)Cl)N
InChI
InChI=1S/C22H30ClN3O2/c1-2-12-28-21-14-20(24)19(23)13-18(21)22(27)25-17-8-10-26(11-9-17)15-16-6-4-3-5-7-16/h2-4,13-14,16-17H,1,5-12,15,24H2,(H,25,27)
InChIKey
WJDKTEVHFQAXFP-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-prop-2-enoxybenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

35
Patents

403.20267 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.209946 200.0
[M+Na]+ 426.191888 202.2
[M-H]- 402.195394 205.7
[M+NH4]+ 421.236493 208.9
[M+K]+ 442.165828 195.4
[M+H-H2O]+ 386.199930 190.0
[M+HCOO]- 448.200871 211.1
[M+CH3COO]- 462.216521 226.9
[M+Na-2H]- 424.177336 196.8
[M]+ 403.20212142 195.0
[M]- 403.20321858 195.0
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