CID 20689984

Dtxsid601369598

Structural Information

Molecular Formula
C35H48N2O6S
SMILES
CCCCCCCCCCC(C(=O)NNC1=CC=C(C=C1)OC(C)CCC)OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C35H48N2O6S/c1-4-6-7-8-9-10-11-12-14-34(35(39)37-36-28-15-19-30(20-16-28)42-27(3)13-5-2)43-31-21-25-33(26-22-31)44(40,41)32-23-17-29(38)18-24-32/h15-27,34,36,38H,4-14H2,1-3H3,(H,37,39)
InChIKey
WIURLBUGIQSSQA-UHFFFAOYSA-N
Compound name
2-[4-(4-hydroxyphenyl)sulfonylphenoxy]-N'-(4-pentan-2-yloxyphenyl)dodecanehydrazide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

624.3233 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 625.33058 253.5
[M+Na]+ 647.31252 250.8
[M-H]- 623.31602 258.5
[M+NH4]+ 642.35712 252.8
[M+K]+ 663.28646 245.8
[M+H-H2O]+ 607.32056 241.3
[M+HCOO]- 669.32150 264.2
[M+CH3COO]- 683.33715 266.7
[M+Na-2H]- 645.29797 249.4
[M]+ 624.32275 260.6
[M]- 624.32385 260.6
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.