CID 888386

1-((3-methyl-1-benzofuran-2-yl)carbonyl)-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C19H17NO2
SMILES
CC1=C(OC2=CC=CC=C12)C(=O)N3CCCC4=CC=CC=C43
InChI
InChI=1S/C19H17NO2/c1-13-15-9-3-5-11-17(15)22-18(13)19(21)20-12-6-8-14-7-2-4-10-16(14)20/h2-5,7,9-11H,6,8,12H2,1H3
InChIKey
OHVUIPKVKHIXJL-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-quinolin-1-yl-(3-methyl-1-benzofuran-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

291.12592 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.13320 167.0
[M+Na]+ 314.11514 175.9
[M-H]- 290.11864 175.1
[M+NH4]+ 309.15974 183.6
[M+K]+ 330.08908 171.6
[M+H-H2O]+ 274.12318 158.8
[M+HCOO]- 336.12412 185.8
[M+CH3COO]- 350.13977 179.0
[M+Na-2H]- 312.10059 171.5
[M]+ 291.12537 168.2
[M]- 291.12647 168.2
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.