CID 3868598

5-(morpholine-4-sulfonyl)-2-(propan-2-yloxy)aniline

Structural Information

Molecular Formula
C13H20N2O4S
SMILES
CC(C)OC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)N
InChI
InChI=1S/C13H20N2O4S/c1-10(2)19-13-4-3-11(9-12(13)14)20(16,17)15-5-7-18-8-6-15/h3-4,9-10H,5-8,14H2,1-2H3
InChIKey
WFUHYEDIZJQFQV-UHFFFAOYSA-N
Compound name
5-morpholin-4-ylsulfonyl-2-propan-2-yloxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.11438 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12166 166.8
[M+Na]+ 323.10360 172.1
[M-H]- 299.10710 171.8
[M+NH4]+ 318.14820 178.9
[M+K]+ 339.07754 170.5
[M+H-H2O]+ 283.11164 159.1
[M+HCOO]- 345.11258 179.1
[M+CH3COO]- 359.12823 201.4
[M+Na-2H]- 321.08905 168.7
[M]+ 300.11383 166.9
[M]- 300.11493 166.9
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.