CID 4388857

4-[(2,6-dimethylmorpholin-4-yl)sulfonyl]aniline

Structural Information

Molecular Formula
C12H18N2O3S
SMILES
CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H18N2O3S/c1-9-7-14(8-10(2)17-9)18(15,16)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8,13H2,1-2H3
InChIKey
ZHDKFRBHCZXAJB-UHFFFAOYSA-N
Compound name
4-(2,6-dimethylmorpholin-4-yl)sulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

270.10382 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11110 159.9
[M+Na]+ 293.09304 167.1
[M-H]- 269.09654 165.4
[M+NH4]+ 288.13764 173.7
[M+K]+ 309.06698 164.6
[M+H-H2O]+ 253.10108 152.6
[M+HCOO]- 315.10202 173.2
[M+CH3COO]- 329.11767 196.5
[M+Na-2H]- 291.07849 162.3
[M]+ 270.10327 159.2
[M]- 270.10437 159.2
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