CID 113046

63134-12-3

Structural Information

Molecular Formula
C22H39ClN2O2S
SMILES
CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)Cl)N
InChI
InChI=1S/C22H39ClN2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-28(26,27)25-20-16-17-21(23)22(24)19-20/h16-17,19,25H,2-15,18,24H2,1H3
InChIKey
ZILOAZTVOLFCRO-UHFFFAOYSA-N
Compound name
N-(3-amino-4-chlorophenyl)hexadecane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

430.24207 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.24935 206.9
[M+Na]+ 453.23129 209.9
[M-H]- 429.23479 208.0
[M+NH4]+ 448.27589 217.5
[M+K]+ 469.20523 201.8
[M+H-H2O]+ 413.23933 199.2
[M+HCOO]- 475.24027 217.7
[M+CH3COO]- 489.25592 231.9
[M+Na-2H]- 451.21674 204.4
[M]+ 430.24152 214.5
[M]- 430.24262 214.5
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

patents stripe