CID 3062954

Alpha-(2-hydroxy-1-phenylethyl)-4-phenyl-1-piperazinepropanoic acid hydrazide

Structural Information

Molecular Formula
C21H28N4O2
SMILES
C1CN(CCN1CC(C(CO)C2=CC=CC=C2)C(=O)NN)C3=CC=CC=C3
InChI
InChI=1S/C21H28N4O2/c22-23-21(27)19(20(16-26)17-7-3-1-4-8-17)15-24-11-13-25(14-12-24)18-9-5-2-6-10-18/h1-10,19-20,26H,11-16,22H2,(H,23,27)
InChIKey
VRHWHSUEWVBZRB-UHFFFAOYSA-N
Compound name
4-hydroxy-3-phenyl-2-[(4-phenylpiperazin-1-yl)methyl]butanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.22122 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.22850 188.4
[M+Na]+ 391.21044 188.0
[M-H]- 367.21394 191.6
[M+NH4]+ 386.25504 194.8
[M+K]+ 407.18438 183.2
[M+H-H2O]+ 351.21848 177.1
[M+HCOO]- 413.21942 202.3
[M+CH3COO]- 427.23507 218.9
[M+Na-2H]- 389.19589 188.3
[M]+ 368.22067 180.4
[M]- 368.22177 180.4
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

No patent data available for this compound.