CID 90472880

4-n,4-n-dimethyl-1-n-(phenylsulfamoyl)benzene-1,4-diamine

Structural Information

Molecular Formula
C14H17N3O2S
SMILES
CN(C)C1=CC=C(C=C1)NS(=O)(=O)NC2=CC=CC=C2
InChI
InChI=1S/C14H17N3O2S/c1-17(2)14-10-8-13(9-11-14)16-20(18,19)15-12-6-4-3-5-7-12/h3-11,15-16H,1-2H3
InChIKey
LHUHIMWCFQWIHT-UHFFFAOYSA-N
Compound name
4-N,4-N-dimethyl-1-N-(phenylsulfamoyl)benzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.10416 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.111436 163.8
[M+Na]+ 314.093378 169.7
[M-H]- 290.096884 171.8
[M+NH4]+ 309.137983 179.1
[M+K]+ 330.067318 166.2
[M+H-H2O]+ 274.101420 155.4
[M+HCOO]- 336.102361 185.5
[M+CH3COO]- 350.118011 208.1
[M+Na-2H]- 312.078826 170.0
[M]+ 291.10361142 165.3
[M]- 291.10470858 165.3
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.