CID 3079063

124237-29-2

Structural Information

Molecular Formula
C25H43ClN2O2
SMILES
CCCCCCCCCCCCCCCC1=C(C=CC(=C1)OC(C)(C)C(=O)NN)Cl
InChI
InChI=1S/C25H43ClN2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-20-22(18-19-23(21)26)30-25(2,3)24(29)28-27/h18-20H,4-17,27H2,1-3H3,(H,28,29)
InChIKey
BWYOPJDHMNXIJV-UHFFFAOYSA-N
Compound name
2-(4-chloro-3-pentadecylphenoxy)-2-methylpropanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.3013 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.30858 216.9
[M+Na]+ 461.29052 218.7
[M-H]- 437.29402 217.7
[M+NH4]+ 456.33512 226.9
[M+K]+ 477.26446 212.1
[M+H-H2O]+ 421.29856 209.0
[M+HCOO]- 483.29950 231.0
[M+CH3COO]- 497.31515 238.1
[M+Na-2H]- 459.27597 213.9
[M]+ 438.30075 223.9
[M]- 438.30185 223.9
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.