CID 74121

1590-67-6

Structural Information

Molecular Formula
C22H40N2O2S
SMILES
CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)NN
InChI
InChI=1S/C22H40N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27(25,26)22-18-16-21(24-23)17-19-22/h16-19,24H,2-15,20,23H2,1H3
InChIKey
CQXBNGQFWUTDKW-UHFFFAOYSA-N
Compound name
(4-hexadecylsulfonylphenyl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

396.28104 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.288316 200.0
[M+Na]+ 419.270258 201.6
[M-H]- 395.273764 200.7
[M+NH4]+ 414.314863 210.9
[M+K]+ 435.244198 195.1
[M+H-H2O]+ 379.278300 191.1
[M+HCOO]- 441.279241 215.4
[M+CH3COO]- 455.294891 227.3
[M+Na-2H]- 417.255706 198.6
[M]+ 396.28049142 205.3
[M]- 396.28158858 205.3
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

patents stripe