CID 3075274

Hexanoic acid, 2-butyl-2-((3-(trifluoromethyl)phenyl)amino)-, 2-(4-methylphenyl)hydrazide

Structural Information

Molecular Formula
C24H32F3N3O
SMILES
CCCCC(CCCC)(C(=O)NNC1=CC=C(C=C1)C)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C24H32F3N3O/c1-4-6-15-23(16-7-5-2,22(31)30-29-20-13-11-18(3)12-14-20)28-21-10-8-9-19(17-21)24(25,26)27/h8-14,17,28-29H,4-7,15-16H2,1-3H3,(H,30,31)
InChIKey
MABWEBOZQFPMJU-UHFFFAOYSA-N
Compound name
2-butyl-N'-(4-methylphenyl)-2-[3-(trifluoromethyl)anilino]hexanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.24976 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.25704 206.8
[M+Na]+ 458.23898 209.3
[M-H]- 434.24248 208.1
[M+NH4]+ 453.28358 215.3
[M+K]+ 474.21292 203.5
[M+H-H2O]+ 418.24702 194.9
[M+HCOO]- 480.24796 223.7
[M+CH3COO]- 494.26361 238.8
[M+Na-2H]- 456.22443 208.1
[M]+ 435.24921 203.4
[M]- 435.25031 203.4
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.