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]+ 221.03793 145.1
[M+Na]+ 243.01987 154.7
[M-H]- 219.02337 148.8
[M+NH4]+ 238.06447 165.1
[M+K]+ 258.99381 151.3
[M+H-H2O]+ 203.02791 139.0
[M+HCOO]- 265.02885 164.1
[M+CH3COO]- 279.04450 187.3
[M+Na-2H]- 241.00532 148.0
[M]+ 220.03010 148.2
[M]- 220.03120 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.