CID 591904

N-(2,1,3-benzothiadiazol-5-yl)acetamide

Structural Information

Molecular Formula
C8H7N3OS
SMILES
CC(=O)NC1=CC2=NSN=C2C=C1
InChI
InChI=1S/C8H7N3OS/c1-5(12)9-6-2-3-7-8(4-6)11-13-10-7/h2-4H,1H3,(H,9,12)
InChIKey
DCJCIZAANYCYFG-UHFFFAOYSA-N
Compound name
N-(2,1,3-benzothiadiazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

193.03099 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.038266 136.6
[M+Na]+ 216.020208 147.6
[M-H]- 192.023714 139.7
[M+NH4]+ 211.064813 157.0
[M+K]+ 231.994148 144.4
[M+H-H2O]+ 176.028250 130.1
[M+HCOO]- 238.029191 156.4
[M+CH3COO]- 252.044841 150.6
[M+Na-2H]- 214.005656 142.4
[M]+ 193.03044142 140.4
[M]- 193.03153858 140.4
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