CID 6444450

Brn 0843715

Structural Information

Molecular Formula
C20H22ClN3O2
SMILES
C1CN(CCN1CCOC(=O)/C=C/C2=CC=NC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H22ClN3O2/c21-18-2-4-19(5-3-18)24-13-11-23(12-14-24)15-16-26-20(25)6-1-17-7-9-22-10-8-17/h1-10H,11-16H2/b6-1+
InChIKey
UANWQTSUOUCBMN-LZCJLJQNSA-N
Compound name
2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl (E)-3-pyridin-4-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.14005 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14733 188.9
[M+Na]+ 394.12927 193.7
[M-H]- 370.13277 192.6
[M+NH4]+ 389.17387 196.7
[M+K]+ 410.10321 186.6
[M+H-H2O]+ 354.13731 176.8
[M+HCOO]- 416.13825 199.1
[M+CH3COO]- 430.15390 212.9
[M+Na-2H]- 392.11472 190.1
[M]+ 371.13950 187.9
[M]- 371.14060 187.9
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.