CID 731719

N-(6-nitro-1,3-benzothiazol-2-yl)acetamide

Structural Information

Molecular Formula
C9H7N3O3S
SMILES
CC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H7N3O3S/c1-5(13)10-9-11-7-3-2-6(12(14)15)4-8(7)16-9/h2-4H,1H3,(H,10,11,13)
InChIKey
XARDSBCDZPSYTN-UHFFFAOYSA-N
Compound name
N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

33
Patents

237.02081 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.02809 144.4
[M+Na]+ 260.01003 156.4
[M+NH4]+ 255.05463 152.3
[M+K]+ 275.98397 153.8
[M-H]- 236.01353 147.3
[M+Na-2H]- 257.99548 149.7
[M]+ 237.02026 147.1
[M]- 237.02136 147.1
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