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]+ 292.133196 167.0
[M+Na]+ 314.115138 175.9
[M-H]- 290.118644 175.1
[M+NH4]+ 309.159743 183.6
[M+K]+ 330.089078 171.6
[M+H-H2O]+ 274.123180 158.8
[M+HCOO]- 336.124121 185.8
[M+CH3COO]- 350.139771 179.0
[M+Na-2H]- 312.100586 171.5
[M]+ 291.12537142 168.2
[M]- 291.12646858 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.