CID 14209145

2-(4-benzhydrylpiperazin-1-yl)ethyl 3-aminobut-2-enoate

Structural Information

Molecular Formula
C23H29N3O2
SMILES
C/C(=C\C(=O)OCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)/N
InChI
InChI=1S/C23H29N3O2/c1-19(24)18-22(27)28-17-16-25-12-14-26(15-13-25)23(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,18,23H,12-17,24H2,1H3/b19-18+
InChIKey
MLBVXONZJLAMCA-VHEBQXMUSA-N
Compound name
2-(4-benzhydrylpiperazin-1-yl)ethyl (E)-3-aminobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

379.22598 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.23326 195.0
[M+Na]+ 402.21520 205.6
[M+NH4]+ 397.25980 200.6
[M+K]+ 418.18914 198.7
[M-H]- 378.21870 199.3
[M+Na-2H]- 400.20065 201.8
[M]+ 379.22543 197.4
[M]- 379.22653 197.4
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

patents stripe