CID 4518228

N-methyl-4-(methylthio)benzamide

Structural Information

Molecular Formula
C9H11NOS
SMILES
CNC(=O)C1=CC=C(C=C1)SC
InChI
InChI=1S/C9H11NOS/c1-10-9(11)7-3-5-8(12-2)6-4-7/h3-6H,1-2H3,(H,10,11)
InChIKey
UTWKXHLTRDUFAC-UHFFFAOYSA-N
Compound name
N-methyl-4-methylsulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

181.05614 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06342 136.8
[M+Na]+ 204.04536 144.5
[M-H]- 180.04886 140.9
[M+NH4]+ 199.08996 157.3
[M+K]+ 220.01930 141.8
[M+H-H2O]+ 164.05340 130.9
[M+HCOO]- 226.05434 156.4
[M+CH3COO]- 240.06999 182.4
[M+Na-2H]- 202.03081 140.2
[M]+ 181.05559 138.5
[M]- 181.05669 138.5
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