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

0
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 194.8
[M+Na]+ 402.21520 195.2
[M-H]- 378.21870 199.0
[M+NH4]+ 397.25980 201.8
[M+K]+ 418.18914 190.0
[M+H-H2O]+ 362.22324 183.0
[M+HCOO]- 424.22418 208.6
[M+CH3COO]- 438.23983 220.4
[M+Na-2H]- 400.20065 193.2
[M]+ 379.22543 189.1
[M]- 379.22653 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

No patent data available for this compound.