CID 1181877

3-(1,3-benzodioxol-5-yl)-n-(4-(1-piperidinyl)phenyl)acrylamide

Structural Information

Molecular Formula
C21H22N2O3
SMILES
C1CCN(CC1)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C21H22N2O3/c24-21(11-5-16-4-10-19-20(14-16)26-15-25-19)22-17-6-8-18(9-7-17)23-12-2-1-3-13-23/h4-11,14H,1-3,12-13,15H2,(H,22,24)/b11-5+
InChIKey
JFISZXQOPAGZNV-VZUCSPMQSA-N
Compound name
(E)-3-(1,3-benzodioxol-5-yl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.16306 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17034 183.4
[M+Na]+ 373.15228 186.8
[M-H]- 349.15578 192.4
[M+NH4]+ 368.19688 193.7
[M+K]+ 389.12622 183.8
[M+H-H2O]+ 333.16032 173.8
[M+HCOO]- 395.16126 199.2
[M+CH3COO]- 409.17691 192.3
[M+Na-2H]- 371.13773 185.3
[M]+ 350.16251 179.9
[M]- 350.16361 179.9
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.