CID 3088313

Brn 5148103

Structural Information

Molecular Formula
C23H37Cl3N2O2
SMILES
CCCCCCCCCCCCCCCC1=C(C(=C(C=C1Cl)Cl)OCC(=O)NN)Cl
InChI
InChI=1S/C23H37Cl3N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-19(24)16-20(25)23(22(18)26)30-17-21(29)28-27/h16H,2-15,17,27H2,1H3,(H,28,29)
InChIKey
QDNKQIJEXGFAOC-UHFFFAOYSA-N
Compound name
2-(2,4,6-trichloro-3-pentadecylphenoxy)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.19205 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.19933 217.9
[M+Na]+ 501.18127 222.4
[M-H]- 477.18477 217.7
[M+NH4]+ 496.22587 227.5
[M+K]+ 517.15521 213.7
[M+H-H2O]+ 461.18931 212.0
[M+HCOO]- 523.19025 224.0
[M+CH3COO]- 537.20590 241.5
[M+Na-2H]- 499.16672 212.1
[M]+ 478.19150 226.5
[M]- 478.19260 226.5
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.