CID 318132

2-benzothiazolecarboximidamide

Structural Information

Molecular Formula
C8H7N3S
SMILES
C1=CC=C2C(=C1)N=C(S2)C(=N)N
InChI
InChI=1S/C8H7N3S/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H3,9,10)
InChIKey
UYCSUJHXRRURIX-UHFFFAOYSA-N
Compound name
1,3-benzothiazole-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16
Patents

177.03607 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04335 133.0
[M+Na]+ 200.02529 144.4
[M+NH4]+ 195.06989 142.3
[M+K]+ 215.99923 138.3
[M-H]- 176.02879 136.1
[M+Na-2H]- 198.01074 139.5
[M]+ 177.03552 135.8
[M]- 177.03662 135.8
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