CID 3075275

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

Structural Information

Molecular Formula
C25H37N3O
SMILES
CCCCC(CCCC)(C(=O)NNC1=CC=C(C=C1)C)NC2=CC=CC(=C2C)C
InChI
InChI=1S/C25H37N3O/c1-6-8-17-25(18-9-7-2,26-23-12-10-11-20(4)21(23)5)24(29)28-27-22-15-13-19(3)14-16-22/h10-16,26-27H,6-9,17-18H2,1-5H3,(H,28,29)
InChIKey
DBSAYHGAVLUEFL-UHFFFAOYSA-N
Compound name
2-butyl-2-(2,3-dimethylanilino)-N'-(4-methylphenyl)hexanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.29367 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.30095 203.2
[M+Na]+ 418.28289 205.5
[M-H]- 394.28639 208.7
[M+NH4]+ 413.32749 213.7
[M+K]+ 434.25683 200.4
[M+H-H2O]+ 378.29093 193.7
[M+HCOO]- 440.29187 224.6
[M+CH3COO]- 454.30752 235.3
[M+Na-2H]- 416.26834 204.1
[M]+ 395.29312 204.7
[M]- 395.29422 204.7
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.