CID 366695

Nsc635412

Structural Information

Molecular Formula
C10H8N2O2S
SMILES
C1=CC=C2C(=C1)N=C(S2)CC(=O)C(=O)N
InChI
InChI=1S/C10H8N2O2S/c11-10(14)7(13)5-9-12-6-3-1-2-4-8(6)15-9/h1-4H,5H2,(H2,11,14)
InChIKey
RMUBVXKTSWBOKI-UHFFFAOYSA-N
Compound name
3-(1,3-benzothiazol-2-yl)-2-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.03065 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.037926 145.1
[M+Na]+ 243.019868 154.7
[M-H]- 219.023374 148.8
[M+NH4]+ 238.064473 165.1
[M+K]+ 258.993808 151.3
[M+H-H2O]+ 203.027910 139.0
[M+HCOO]- 265.028851 164.1
[M+CH3COO]- 279.044501 187.3
[M+Na-2H]- 241.005316 148.0
[M]+ 220.03010142 148.2
[M]- 220.03119858 148.2
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.