CID 6444454

Brn 0576092

Structural Information

Molecular Formula
C21H25N3O3
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CCOC(=O)/C=C/C3=CN=CC=C3
InChI
InChI=1S/C21H25N3O3/c1-26-20-7-5-19(6-8-20)24-13-11-23(12-14-24)15-16-27-21(25)9-4-18-3-2-10-22-17-18/h2-10,17H,11-16H2,1H3/b9-4+
InChIKey
GLFWZGIFACHXKU-RUDMXATFSA-N
Compound name
2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl (E)-3-pyridin-3-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1896 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.19688 190.8
[M+Na]+ 390.17882 203.8
[M+NH4]+ 385.22342 196.3
[M+K]+ 406.15276 196.0
[M-H]- 366.18232 194.2
[M+Na-2H]- 388.16427 198.3
[M]+ 367.18905 193.4
[M]- 367.19015 193.4
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.