CID 28786527

3-(thiomorpholine-4-carbonyl)aniline

Structural Information

Molecular Formula
C11H14N2OS
SMILES
C1CSCCN1C(=O)C2=CC(=CC=C2)N
InChI
InChI=1S/C11H14N2OS/c12-10-3-1-2-9(8-10)11(14)13-4-6-15-7-5-13/h1-3,8H,4-7,12H2
InChIKey
XYBPGFUJUIVYSU-UHFFFAOYSA-N
Compound name
(3-aminophenyl)-thiomorpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.08269 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.089966 147.9
[M+Na]+ 245.071908 153.2
[M-H]- 221.075414 152.1
[M+NH4]+ 240.116513 164.5
[M+K]+ 261.045848 149.5
[M+H-H2O]+ 205.079950 140.4
[M+HCOO]- 267.080891 162.4
[M+CH3COO]- 281.096541 187.1
[M+Na-2H]- 243.057356 149.3
[M]+ 222.08214142 143.2
[M]- 222.08323858 143.2
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

No patent data available for this compound.