CID 9583641

2-(1,3-benzothiazol-2-yl)-n'-hydroxyethanimidamide

Structural Information

Molecular Formula
C9H9N3OS
SMILES
C1=CC=C2C(=C1)N=C(S2)C/C(=N/O)/N
InChI
InChI=1S/C9H9N3OS/c10-8(12-13)5-9-11-6-3-1-2-4-7(6)14-9/h1-4,13H,5H2,(H2,10,12)
InChIKey
YKIOTVXPLPMYSQ-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-yl)-N'-hydroxyethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

4
Patents

207.04663 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.05391 140.1
[M+Na]+ 230.03585 149.7
[M-H]- 206.03935 143.8
[M+NH4]+ 225.08045 160.6
[M+K]+ 246.00979 145.9
[M+H-H2O]+ 190.04389 133.8
[M+HCOO]- 252.04483 161.2
[M+CH3COO]- 266.06048 186.5
[M+Na-2H]- 228.02130 145.3
[M]+ 207.04608 142.0
[M]- 207.04718 142.0
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