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]+ 309.09035 168.0
[M+Na]+ 331.07229 176.7
[M-H]- 307.07579 174.6
[M+NH4]+ 326.11689 182.4
[M+K]+ 347.04623 172.6
[M+H-H2O]+ 291.08033 160.3
[M+HCOO]- 353.08127 187.3
[M+CH3COO]- 367.09692 206.8
[M+Na-2H]- 329.05774 170.5
[M]+ 308.08252 171.0
[M]- 308.08362 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.