CID 13147219

N,n-dimethyl-4-sulfanylbenzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

181.05614 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06342 137.9
[M+Na]+ 204.04536 149.8
[M+NH4]+ 199.08996 147.3
[M+K]+ 220.01930 142.0
[M-H]- 180.04886 141.2
[M+Na-2H]- 202.03081 144.7
[M]+ 181.05559 141.0
[M]- 181.05669 141.0
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