CID 73894736

C.i. solvent black 7

Structural Information

Molecular Formula
C14H22N2O4S
SMILES
CCCCCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCCO
InChI
InChI=1S/C14H22N2O4S/c1-2-3-4-5-14(18)16-12-6-8-13(9-7-12)21(19,20)15-10-11-17/h6-9,15,17H,2-5,10-11H2,1H3,(H,16,18)
InChIKey
ZOTFNDQLJIXYRU-UHFFFAOYSA-N
Compound name
N-[4-(2-hydroxyethylsulfamoyl)phenyl]hexanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

314.13004 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.13732 171.6
[M+Na]+ 337.11926 175.9
[M-H]- 313.12276 173.0
[M+NH4]+ 332.16386 185.0
[M+K]+ 353.09320 171.8
[M+H-H2O]+ 297.12730 164.2
[M+HCOO]- 359.12824 188.4
[M+CH3COO]- 373.14389 205.2
[M+Na-2H]- 335.10471 173.9
[M]+ 314.12949 174.6
[M]- 314.13059 174.6
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.