CID 11259

Metahexamide

Structural Information

Molecular Formula
C14H21N3O3S
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)NC(=O)NC2CCCCC2)N
InChI
InChI=1S/C14H21N3O3S/c1-10-7-8-12(9-13(10)15)21(19,20)17-14(18)16-11-5-3-2-4-6-11/h7-9,11H,2-6,15H2,1H3,(H2,16,17,18)
InChIKey
XXYTXQGCRQLRHA-UHFFFAOYSA-N
Compound name
1-(3-amino-4-methylphenyl)sulfonyl-3-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

44
References

1169
Patents

311.13037 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13765 168.8
[M+Na]+ 334.11959 172.2
[M-H]- 310.12309 173.9
[M+NH4]+ 329.16419 182.3
[M+K]+ 350.09353 168.4
[M+H-H2O]+ 294.12763 161.1
[M+HCOO]- 356.12857 184.5
[M+CH3COO]- 370.14422 207.8
[M+Na-2H]- 332.10504 170.6
[M]+ 311.12982 164.4
[M]- 311.13092 164.4
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.