CID 9953

Glyhexamide

Structural Information

Molecular Formula
C16H22N2O3S
SMILES
C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC3=C(CCC3)C=C2
InChI
InChI=1S/C16H22N2O3S/c19-16(17-14-7-2-1-3-8-14)18-22(20,21)15-10-9-12-5-4-6-13(12)11-15/h9-11,14H,1-8H2,(H2,17,18,19)
InChIKey
NFRPNQDSKJJQGV-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

3673
Patents

322.1351 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.142376 171.9
[M+Na]+ 345.124318 175.0
[M-H]- 321.127824 177.9
[M+NH4]+ 340.168923 188.1
[M+K]+ 361.098258 171.2
[M+H-H2O]+ 305.132360 165.3
[M+HCOO]- 367.133301 186.0
[M+CH3COO]- 381.148951 205.6
[M+Na-2H]- 343.109766 174.1
[M]+ 322.13455142 168.2
[M]- 322.13564858 168.2
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