CID 6433409

Brn 0568418

Structural Information

Molecular Formula
C21H23ClN2O2
SMILES
C1CN(CCN1CCOC(=O)/C=C/C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H23ClN2O2/c22-19-7-9-20(10-8-19)24-14-12-23(13-15-24)16-17-26-21(25)11-6-18-4-2-1-3-5-18/h1-11H,12-17H2/b11-6+
InChIKey
NUGWNQMHDLTMSI-IZZDOVSWSA-N
Compound name
2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1448 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15208 189.4
[M+Na]+ 393.13402 193.9
[M-H]- 369.13752 194.5
[M+NH4]+ 388.17862 198.7
[M+K]+ 409.10796 186.7
[M+H-H2O]+ 353.14206 178.2
[M+HCOO]- 415.14300 200.7
[M+CH3COO]- 429.15865 213.1
[M+Na-2H]- 391.11947 190.0
[M]+ 370.14425 188.4
[M]- 370.14535 188.4
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.