CID 3075270

Hexanoic acid, 2-butyl-2-((2,3-dimethylphenyl)amino)-, 2-phenylhydrazide

Structural Information

Molecular Formula
C24H35N3O
SMILES
CCCCC(CCCC)(C(=O)NNC1=CC=CC=C1)NC2=CC=CC(=C2C)C
InChI
InChI=1S/C24H35N3O/c1-5-7-17-24(18-8-6-2,25-22-16-12-13-19(3)20(22)4)23(28)27-26-21-14-10-9-11-15-21/h9-16,25-26H,5-8,17-18H2,1-4H3,(H,27,28)
InChIKey
IXUNLGSKPHMVPQ-UHFFFAOYSA-N
Compound name
2-butyl-2-(2,3-dimethylanilino)-N'-phenylhexanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.278 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.28528 198.3
[M+Na]+ 404.26722 200.1
[M-H]- 380.27072 203.6
[M+NH4]+ 399.31182 209.1
[M+K]+ 420.24116 195.1
[M+H-H2O]+ 364.27526 188.8
[M+HCOO]- 426.27620 220.1
[M+CH3COO]- 440.29185 231.1
[M+Na-2H]- 402.25267 200.5
[M]+ 381.27745 199.0
[M]- 381.27855 199.0
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.