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

167
Patents

178.02008 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.02736 133.1
[M+Na]+ 201.00930 146.0
[M+NH4]+ 196.05390 142.7
[M+K]+ 216.98324 138.9
[M-H]- 177.01280 135.8
[M+Na-2H]- 198.99475 140.2
[M]+ 178.01953 136.1
[M]- 178.02063 136.1
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