CID 67850896

90096-33-6

Structural Information

Molecular Formula
C23H29N3O2
SMILES
CC(=CC(=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
InChIKey
MLBVXONZJLAMCA-UHFFFAOYSA-N
Compound name
2-(4-benzhydrylpiperazin-1-yl)ethyl 3-aminobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

379.22598 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.233256 194.8
[M+Na]+ 402.215198 195.2
[M-H]- 378.218704 199.0
[M+NH4]+ 397.259803 201.8
[M+K]+ 418.189138 190.0
[M+H-H2O]+ 362.223240 183.0
[M+HCOO]- 424.224181 208.6
[M+CH3COO]- 438.239831 220.4
[M+Na-2H]- 400.200646 193.2
[M]+ 379.22543142 189.1
[M]- 379.22652858 189.1
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

patents stripe