CID 4291681

N'-(4-methylphenyl)sulfonylethanimidamide

Structural Information

Molecular Formula
C9H12N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N=C(C)N
InChI
InChI=1S/C9H12N2O2S/c1-7-3-5-9(6-4-7)14(12,13)11-8(2)10/h3-6H,1-2H3,(H2,10,11)
InChIKey
AATHMSXPRMZWAD-UHFFFAOYSA-N
Compound name
N'-(4-methylphenyl)sulfonylethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

212.06195 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06923 144.0
[M+Na]+ 235.05117 151.9
[M-H]- 211.05467 148.9
[M+NH4]+ 230.09577 163.1
[M+K]+ 251.02511 149.2
[M+H-H2O]+ 195.05921 137.6
[M+HCOO]- 257.06015 164.3
[M+CH3COO]- 271.07580 190.0
[M+Na-2H]- 233.03662 147.9
[M]+ 212.06140 145.2
[M]- 212.06250 145.2
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

patents stripe