CID 18497

Hydroxyhexamide

Structural Information

Molecular Formula
C15H22N2O4S
SMILES
CC(C1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2)O
InChI
InChI=1S/C15H22N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-11,13,18H,2-6H2,1H3,(H2,16,17,19)
InChIKey
VQDAEOYLIBGCHE-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-[4-(1-hydroxyethyl)phenyl]sulfonylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

6
Patents

326.13004 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.13732 172.1
[M+Na]+ 349.11926 178.6
[M+NH4]+ 344.16386 177.6
[M+K]+ 365.09320 173.6
[M-H]- 325.12276 173.7
[M+Na-2H]- 347.10471 176.3
[M]+ 326.12949 173.4
[M]- 326.13059 173.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe