CID 10198719

Cl075

Structural Information

Molecular Formula
C13H13N3S
SMILES
CCCC1=NC2=C(S1)C3=CC=CC=C3N=C2N
InChI
InChI=1S/C13H13N3S/c1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14/h3-4,6-7H,2,5H2,1H3,(H2,14,15)
InChIKey
NFYMGJSUKCDVJR-UHFFFAOYSA-N
Compound name
2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

44
References

630
Patents

243.08302 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09030 151.1
[M+Na]+ 266.07224 163.4
[M-H]- 242.07574 154.7
[M+NH4]+ 261.11684 170.9
[M+K]+ 282.04618 157.5
[M+H-H2O]+ 226.08028 144.5
[M+HCOO]- 288.08122 169.2
[M+CH3COO]- 302.09687 164.3
[M+Na-2H]- 264.05769 156.3
[M]+ 243.08247 155.5
[M]- 243.08357 155.5
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