CID 6444452

2-thiopheneacrylic acid, 2-(4-(p-chlorophenyl)-1-piperazinyl)ethyl ester

Structural Information

Molecular Formula
C19H21ClN2O2S
SMILES
C1CN(CCN1CCOC(=O)/C=C/C2=CC=CS2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H21ClN2O2S/c20-16-3-5-17(6-4-16)22-11-9-21(10-12-22)13-14-24-19(23)8-7-18-2-1-15-25-18/h1-8,15H,9-14H2/b8-7+
InChIKey
GMUSISFVYJOKAM-BQYQJAHWSA-N
Compound name
2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl (E)-3-thiophen-2-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.10123 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.10851 188.9
[M+Na]+ 399.09045 194.8
[M-H]- 375.09395 195.1
[M+NH4]+ 394.13505 201.0
[M+K]+ 415.06439 188.0
[M+H-H2O]+ 359.09849 179.9
[M+HCOO]- 421.09943 197.2
[M+CH3COO]- 435.11508 197.6
[M+Na-2H]- 397.07590 185.3
[M]+ 376.10068 190.5
[M]- 376.10178 190.5
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.