CID 28786518

2-methyl-4-(thiomorpholine-4-carbonyl)aniline

Structural Information

Molecular Formula
C12H16N2OS
SMILES
CC1=C(C=CC(=C1)C(=O)N2CCSCC2)N
InChI
InChI=1S/C12H16N2OS/c1-9-8-10(2-3-11(9)13)12(15)14-4-6-16-7-5-14/h2-3,8H,4-7,13H2,1H3
InChIKey
RNTJJHCRCMMFNH-UHFFFAOYSA-N
Compound name
(4-amino-3-methylphenyl)-thiomorpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09833 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.105606 152.4
[M+Na]+ 259.087548 158.1
[M-H]- 235.091054 156.8
[M+NH4]+ 254.132153 168.7
[M+K]+ 275.061488 154.1
[M+H-H2O]+ 219.095590 144.9
[M+HCOO]- 281.096531 166.5
[M+CH3COO]- 295.112181 191.3
[M+Na-2H]- 257.072996 152.6
[M]+ 236.09778142 148.4
[M]- 236.09887858 148.4
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.