CID 6450612

Ethyl 4-(4-(diphenylmethyl)-1-piperazinyl)-2-butenoate 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]+ 365.22238 191.8
[M+Na]+ 387.20432 193.3
[M-H]- 363.20782 196.3
[M+NH4]+ 382.24892 199.9
[M+K]+ 403.17826 187.7
[M+H-H2O]+ 347.21236 179.8
[M+HCOO]- 409.21330 206.0
[M+CH3COO]- 423.22895 215.1
[M+Na-2H]- 385.18977 191.4
[M]+ 364.21455 188.1
[M]- 364.21565 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.