CID 673107

(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)(cyclopropyl)methanone

Structural Information

Molecular Formula
C15H16N2OS
SMILES
C1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)C4CC4)N
InChI
InChI=1S/C15H16N2OS/c16-12-10-7-9-3-1-2-4-11(9)17-15(10)19-14(12)13(18)8-5-6-8/h7-8H,1-6,16H2
InChIKey
FFHDCDJDWAPFDL-UHFFFAOYSA-N
Compound name
(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-cyclopropylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.09833 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10561 155.4
[M+Na]+ 295.08755 165.9
[M-H]- 271.09105 162.6
[M+NH4]+ 290.13215 169.7
[M+K]+ 311.06149 159.7
[M+H-H2O]+ 255.09559 149.3
[M+HCOO]- 317.09653 170.9
[M+CH3COO]- 331.11218 167.1
[M+Na-2H]- 293.07300 157.6
[M]+ 272.09778 158.2
[M]- 272.09888 158.2
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

No patent data available for this compound.