CID 3075276

Pentanoic acid, 2-((2,3-dimethylphenyl)amino)-2-propyl-, 2-phenylhydrazide

Structural Information

Molecular Formula
C22H31N3O
SMILES
CCCC(CCC)(C(=O)NNC1=CC=CC=C1)NC2=CC=CC(=C2C)C
InChI
InChI=1S/C22H31N3O/c1-5-15-22(16-6-2,23-20-14-10-11-17(3)18(20)4)21(26)25-24-19-12-8-7-9-13-19/h7-14,23-24H,5-6,15-16H2,1-4H3,(H,25,26)
InChIKey
QBHYDRJFOMVROZ-UHFFFAOYSA-N
Compound name
2-(2,3-dimethylanilino)-N'-phenyl-2-propylpentanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.2467 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.25398 189.5
[M+Na]+ 376.23592 192.3
[M-H]- 352.23942 195.2
[M+NH4]+ 371.28052 201.5
[M+K]+ 392.20986 187.7
[M+H-H2O]+ 336.24396 180.4
[M+HCOO]- 398.24490 212.0
[M+CH3COO]- 412.26055 225.2
[M+Na-2H]- 374.22137 192.7
[M]+ 353.24615 189.6
[M]- 353.24725 189.6
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.