CID 173424

75535-23-8

Structural Information

Molecular Formula
C21H21NO2
SMILES
CCN1CCCC2=C1C=CC(=C2)C=C3COC4=CC=CC=C4C3=O
InChI
InChI=1S/C21H21NO2/c1-2-22-11-5-6-16-12-15(9-10-19(16)22)13-17-14-24-20-8-4-3-7-18(20)21(17)23/h3-4,7-10,12-13H,2,5-6,11,14H2,1H3
InChIKey
FSVYQLFYLOIGTE-UHFFFAOYSA-N
Compound name
3-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

319.15723 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.16451 176.7
[M+Na]+ 342.14645 183.1
[M-H]- 318.14995 183.2
[M+NH4]+ 337.19105 189.9
[M+K]+ 358.12039 177.8
[M+H-H2O]+ 302.15449 166.6
[M+HCOO]- 364.15543 190.6
[M+CH3COO]- 378.17108 186.3
[M+Na-2H]- 340.13190 180.5
[M]+ 319.15668 173.5
[M]- 319.15778 173.5
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

patents stripe