CID 131369996

N-(4-aminophenyl)-n,n-dimethylmethanesulfonoimidamide

Structural Information

Molecular Formula
C9H15N3OS
SMILES
CN(C)S(=NC1=CC=C(C=C1)N)(=O)C
InChI
InChI=1S/C9H15N3OS/c1-12(2)14(3,13)11-9-6-4-8(10)5-7-9/h4-7H,10H2,1-3H3
InChIKey
FRCOKWWUUHXMTO-UHFFFAOYSA-N
Compound name
4-[(dimethylamino-methyl-oxo-lambda6-sulfanylidene)amino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.09358 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.100856 145.2
[M+Na]+ 236.082798 152.5
[M-H]- 212.086304 151.4
[M+NH4]+ 231.127403 164.7
[M+K]+ 252.056738 150.7
[M+H-H2O]+ 196.090840 138.2
[M+HCOO]- 258.091781 167.5
[M+CH3COO]- 272.107431 196.4
[M+Na-2H]- 234.068246 149.9
[M]+ 213.09303142 146.7
[M]- 213.09412858 146.7
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.