CID 26028

13452-19-2

Structural Information

Molecular Formula
C10H12N2O2S
SMILES
CSC(C(=O)N)NC(=O)C1=CC=CC=C1
InChI
InChI=1S/C10H12N2O2S/c1-15-10(8(11)13)12-9(14)7-5-3-2-4-6-7/h2-6,10H,1H3,(H2,11,13)(H,12,14)
InChIKey
VNPRISCHSXHWNJ-UHFFFAOYSA-N
Compound name
N-(2-amino-1-methylsulfanyl-2-oxoethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.06195 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06923 148.8
[M+Na]+ 247.05117 157.0
[M+NH4]+ 242.09577 155.8
[M+K]+ 263.02511 151.1
[M-H]- 223.05467 150.4
[M+Na-2H]- 245.03662 153.3
[M]+ 224.06140 150.4
[M]- 224.06250 150.4
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.