CID 716890

326918-81-4

Structural Information

Molecular Formula
C18H16N2OS
SMILES
C1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)C4=CC=CC=C4)N
InChI
InChI=1S/C18H16N2OS/c19-15-13-10-12-8-4-5-9-14(12)20-18(13)22-17(15)16(21)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9,19H2
InChIKey
WPHKBAUMBCUANR-UHFFFAOYSA-N
Compound name
(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

308.09833 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.10561 168.4
[M+Na]+ 331.08755 177.4
[M-H]- 307.09105 175.4
[M+NH4]+ 326.13215 185.9
[M+K]+ 347.06149 171.0
[M+H-H2O]+ 291.09559 161.2
[M+HCOO]- 353.09653 184.1
[M+CH3COO]- 367.11218 179.7
[M+Na-2H]- 329.07300 170.9
[M]+ 308.09778 168.8
[M]- 308.09888 168.8
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.