CID 60315

109351-13-5

Structural Information

Molecular Formula
C14H16N2O4S
SMILES
COC1=C(C=C(C(=C1)N)S(=O)(=O)C2=CC=C(C=C2)N)OC
InChI
InChI=1S/C14H16N2O4S/c1-19-12-7-11(16)14(8-13(12)20-2)21(17,18)10-5-3-9(15)4-6-10/h3-8H,15-16H2,1-2H3
InChIKey
LZMOXOZTMVYCAY-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)sulfonyl-4,5-dimethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.08307 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.090346 168.0
[M+Na]+ 331.072288 176.7
[M-H]- 307.075794 174.6
[M+NH4]+ 326.116893 182.4
[M+K]+ 347.046228 172.6
[M+H-H2O]+ 291.080330 160.3
[M+HCOO]- 353.081271 187.3
[M+CH3COO]- 367.096921 206.8
[M+Na-2H]- 329.057736 170.5
[M]+ 308.08252142 171.0
[M]- 308.08361858 171.0
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.