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]+ 223.08997 147.9
[M+Na]+ 245.07191 153.2
[M-H]- 221.07541 152.1
[M+NH4]+ 240.11651 164.5
[M+K]+ 261.04585 149.5
[M+H-H2O]+ 205.07995 140.4
[M+HCOO]- 267.08089 162.4
[M+CH3COO]- 281.09654 187.1
[M+Na-2H]- 243.05736 149.3
[M]+ 222.08214 143.2
[M]- 222.08324 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.