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
1
Annotation Hits

5
References

3718
Patents

322.1351 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.14238 171.9
[M+Na]+ 345.12432 175.0
[M-H]- 321.12782 177.9
[M+NH4]+ 340.16892 188.1
[M+K]+ 361.09826 171.2
[M+H-H2O]+ 305.13236 165.3
[M+HCOO]- 367.13330 186.0
[M+CH3COO]- 381.14895 205.6
[M+Na-2H]- 343.10977 174.1
[M]+ 322.13455 168.2
[M]- 322.13565 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.