CID 6450612

2-butenoic acid, 4-(4-(diphenylmethyl)-1-piperazinyl)-, ethyl ester, dihydrochloride

Structural Information

Molecular Formula
C23H28N2O2
SMILES
CCOC(=O)/C=C/CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H28N2O2/c1-2-27-22(26)14-9-15-24-16-18-25(19-17-24)23(20-10-5-3-6-11-20)21-12-7-4-8-13-21/h3-14,23H,2,15-19H2,1H3/b14-9+
InChIKey
PGWUYXSUIKIVJZ-NTEUORMPSA-N
Compound name
ethyl (E)-4-(4-benzhydrylpiperazin-1-yl)but-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.2151 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.222376 191.8
[M+Na]+ 387.204318 193.3
[M-H]- 363.207824 196.3
[M+NH4]+ 382.248923 199.9
[M+K]+ 403.178258 187.7
[M+H-H2O]+ 347.212360 179.8
[M+HCOO]- 409.213301 206.0
[M+CH3COO]- 423.228951 215.1
[M+Na-2H]- 385.189766 191.4
[M]+ 364.21455142 188.1
[M]- 364.21564858 188.1
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.