CID 2810499

N-(1,3-benzothiazol-2-ylacetyl)urea

Structural Information

Molecular Formula
C10H9N3O2S
SMILES
C1=CC=C2C(=C1)N=C(S2)CC(=O)NC(=O)N
InChI
InChI=1S/C10H9N3O2S/c11-10(15)13-8(14)5-9-12-6-3-1-2-4-7(6)16-9/h1-4H,5H2,(H3,11,13,14,15)
InChIKey
NPZYLGYIVBJZIV-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-yl)-N-carbamoylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

235.04155 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.048826 148.4
[M+Na]+ 258.030768 157.2
[M-H]- 234.034274 152.0
[M+NH4]+ 253.075373 167.5
[M+K]+ 274.004708 153.7
[M+H-H2O]+ 218.038810 141.8
[M+HCOO]- 280.039751 168.4
[M+CH3COO]- 294.055401 191.0
[M+Na-2H]- 256.016216 152.0
[M]+ 235.04100142 150.6
[M]- 235.04209858 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe