CID 487091

4-[4-(2-ethoxyethylamino)phenyl]sulfonylaniline

Structural Information

Molecular Formula
C16H20N2O3S
SMILES
CCOCCNC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C16H20N2O3S/c1-2-21-12-11-18-14-5-9-16(10-6-14)22(19,20)15-7-3-13(17)4-8-15/h3-10,18H,2,11-12,17H2,1H3
InChIKey
PBGTVGVCOJBUNK-UHFFFAOYSA-N
Compound name
4-[4-(2-ethoxyethylamino)phenyl]sulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.11948 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12676 172.8
[M+Na]+ 343.10870 179.2
[M-H]- 319.11220 178.8
[M+NH4]+ 338.15330 186.5
[M+K]+ 359.08264 174.2
[M+H-H2O]+ 303.11674 164.6
[M+HCOO]- 365.11768 192.0
[M+CH3COO]- 379.13333 208.5
[M+Na-2H]- 341.09415 176.5
[M]+ 320.11893 175.3
[M]- 320.12003 175.3
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.