CID 332486

Isothiazolo[5,4-b]quinolin-3-amine

Structural Information

Molecular Formula
C10H7N3S
SMILES
C1=CC=C2C(=C1)C=C3C(=NSC3=N2)N
InChI
InChI=1S/C10H7N3S/c11-9-7-5-6-3-1-2-4-8(6)12-10(7)14-13-9/h1-5H,(H2,11,13)
InChIKey
JEKVARRIYKFDHJ-UHFFFAOYSA-N
Compound name
[1,2]thiazolo[5,4-b]quinolin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

201.03607 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.04335 136.8
[M+Na]+ 224.02529 149.7
[M-H]- 200.02879 140.6
[M+NH4]+ 219.06989 158.1
[M+K]+ 239.99923 144.5
[M+H-H2O]+ 184.03333 130.6
[M+HCOO]- 246.03427 156.1
[M+CH3COO]- 260.04992 151.1
[M+Na-2H]- 222.01074 144.4
[M]+ 201.03552 139.8
[M]- 201.03662 139.8
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

No patent data available for this compound.