CID 4090563

2-formamidobenzothiazole

Structural Information

Molecular Formula
C8H6N2OS
SMILES
C1=CC=C2C(=C1)N=C(S2)NC=O
InChI
InChI=1S/C8H6N2OS/c11-5-9-8-10-6-3-1-2-4-7(6)12-8/h1-5H,(H,9,10,11)
InChIKey
BYYLVIMOFHNUDJ-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

178.02008 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.027356 131.4
[M+Na]+ 201.009298 142.8
[M-H]- 177.012804 135.9
[M+NH4]+ 196.053903 153.8
[M+K]+ 216.983238 139.2
[M+H-H2O]+ 161.017340 125.7
[M+HCOO]- 223.018281 153.6
[M+CH3COO]- 237.033931 146.4
[M+Na-2H]- 198.994746 138.5
[M]+ 178.01953142 135.4
[M]- 178.02062858 135.4
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

patents stripe