CID 5473105

Nsc723849

Structural Information

Molecular Formula
C10H12N2O2S
SMILES
C[C@H](C(=O)N)NC(=O)C1=CC=CC=C1S
InChI
InChI=1S/C10H12N2O2S/c1-6(9(11)13)12-10(14)7-4-2-3-5-8(7)15/h2-6,15H,1H3,(H2,11,13)(H,12,14)/t6-/m1/s1
InChIKey
ZBASXCRSAAVKFK-ZCFIWIBFSA-N
Compound name
N-[(2R)-1-amino-1-oxopropan-2-yl]-2-sulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

224.06195 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.06923 149.0
[M+Na]+ 247.05117 154.7
[M-H]- 223.05467 152.2
[M+NH4]+ 242.09577 166.6
[M+K]+ 263.02511 152.2
[M+H-H2O]+ 207.05921 142.3
[M+HCOO]- 269.06015 166.8
[M+CH3COO]- 283.07580 192.8
[M+Na-2H]- 245.03662 149.1
[M]+ 224.06140 148.7
[M]- 224.06250 148.7
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.