CID 6433410

Brn 0579181

Structural Information

Molecular Formula
C21H23ClN2O3
SMILES
C1CN(CCN1CCOC(=O)/C=C/C2=CC=CC=C2O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H23ClN2O3/c22-18-6-8-19(9-7-18)24-13-11-23(12-14-24)15-16-27-21(26)10-5-17-3-1-2-4-20(17)25/h1-10,25H,11-16H2/b10-5+
InChIKey
QZODIIMGXUQTEB-BJMVGYQFSA-N
Compound name
2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl (E)-3-(2-hydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1397 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.14698 192.8
[M+Na]+ 409.12892 206.7
[M+NH4]+ 404.17352 199.1
[M+K]+ 425.10286 198.2
[M-H]- 385.13242 196.7
[M+Na-2H]- 407.11437 200.0
[M]+ 386.13915 196.0
[M]- 386.14025 196.0
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.