CID 615872

309741-88-6

Structural Information

Molecular Formula
C16H19N3O2S
SMILES
C1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)N4CCOCC4)N
InChI
InChI=1S/C16H19N3O2S/c17-13-11-9-10-3-1-2-4-12(10)18-15(11)22-14(13)16(20)19-5-7-21-8-6-19/h9H,1-8,17H2
InChIKey
QDKHYGHEUOTSRT-UHFFFAOYSA-N
Compound name
(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-morpholin-4-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

9
Patents

317.1198 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.12708 169.5
[M+Na]+ 340.10902 176.4
[M-H]- 316.11252 174.9
[M+NH4]+ 335.15362 183.7
[M+K]+ 356.08296 172.5
[M+H-H2O]+ 300.11706 161.9
[M+HCOO]- 362.11800 179.7
[M+CH3COO]- 376.13365 179.3
[M+Na-2H]- 338.09447 170.7
[M]+ 317.11925 167.4
[M]- 317.12035 167.4
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