CID 5013290

2-ethoxy-5-(morpholine-4-sulfonyl)aniline

Structural Information

Molecular Formula
C12H18N2O4S
SMILES
CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)N
InChI
InChI=1S/C12H18N2O4S/c1-2-18-12-4-3-10(9-11(12)13)19(15,16)14-5-7-17-8-6-14/h3-4,9H,2,5-8,13H2,1H3
InChIKey
KXULWZPHEQZNOZ-UHFFFAOYSA-N
Compound name
2-ethoxy-5-morpholin-4-ylsulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.09872 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10600 162.6
[M+Na]+ 309.08794 168.7
[M-H]- 285.09144 167.7
[M+NH4]+ 304.13254 175.4
[M+K]+ 325.06188 166.7
[M+H-H2O]+ 269.09598 154.9
[M+HCOO]- 331.09692 176.2
[M+CH3COO]- 345.11257 197.5
[M+Na-2H]- 307.07339 166.0
[M]+ 286.09817 162.9
[M]- 286.09927 162.9
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

patents stripe