CID 40085

Hexananilide, 4'-sulfanilyl-

Structural Information

Molecular Formula
C18H22N2O3S
SMILES
CCCCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2
InChI
InChI=1S/C18H22N2O3S/c1-2-3-5-10-18(21)19-15-11-13-17(14-12-15)24(22,23)20-16-8-6-4-7-9-16/h4,6-9,11-14,20H,2-3,5,10H2,1H3,(H,19,21)
InChIKey
XPXVTUCLRVROHH-UHFFFAOYSA-N
Compound name
N-[4-(phenylsulfamoyl)phenyl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.1351 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14238 180.8
[M+Na]+ 369.12432 185.4
[M-H]- 345.12782 186.7
[M+NH4]+ 364.16892 193.3
[M+K]+ 385.09826 180.3
[M+H-H2O]+ 329.13236 172.1
[M+HCOO]- 391.13330 199.1
[M+CH3COO]- 405.14895 213.2
[M+Na-2H]- 367.10977 184.1
[M]+ 346.13455 183.1
[M]- 346.13565 183.1
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.