CID 3075271

1-piperazineacetic acid, alpha,alpha-dibutyl-4-methyl-, 2-(4-methylphenyl)hydrazide

Structural Information

Molecular Formula
C22H38N4O
SMILES
CCCCC(CCCC)(C(=O)NNC1=CC=C(C=C1)C)N2CCN(CC2)C
InChI
InChI=1S/C22H38N4O/c1-5-7-13-22(14-8-6-2,26-17-15-25(4)16-18-26)21(27)24-23-20-11-9-19(3)10-12-20/h9-12,23H,5-8,13-18H2,1-4H3,(H,24,27)
InChIKey
KBPIJWYLYOTCFM-UHFFFAOYSA-N
Compound name
2-butyl-N'-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)hexanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.30457 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.31185 198.1
[M+Na]+ 397.29379 198.6
[M-H]- 373.29729 199.9
[M+NH4]+ 392.33839 206.6
[M+K]+ 413.26773 194.1
[M+H-H2O]+ 357.30183 187.7
[M+HCOO]- 419.30277 212.6
[M+CH3COO]- 433.31842 226.4
[M+Na-2H]- 395.27924 198.4
[M]+ 374.30402 195.6
[M]- 374.30512 195.6
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.