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

183
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 131.4
[M+Na]+ 201.00930 142.8
[M-H]- 177.01280 135.9
[M+NH4]+ 196.05390 153.8
[M+K]+ 216.98324 139.2
[M+H-H2O]+ 161.01734 125.7
[M+HCOO]- 223.01828 153.6
[M+CH3COO]- 237.03393 146.4
[M+Na-2H]- 198.99475 138.5
[M]+ 178.01953 135.4
[M]- 178.02063 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