CID 118752

34952-16-4

Structural Information

Molecular Formula
C19H21NO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)N2CCCC3=CC=CC=C32
InChI
InChI=1S/C19H21NO4/c1-22-16-11-14(12-17(23-2)18(16)24-3)19(21)20-10-6-8-13-7-4-5-9-15(13)20/h4-5,7,9,11-12H,6,8,10H2,1-3H3
InChIKey
ZNRUHYACSYSCBU-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-quinolin-1-yl-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

0
Patents

327.14706 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.15434 176.7
[M+Na]+ 350.13628 183.6
[M-H]- 326.13978 182.6
[M+NH4]+ 345.18088 190.2
[M+K]+ 366.11022 180.6
[M+H-H2O]+ 310.14432 167.3
[M+HCOO]- 372.14526 194.7
[M+CH3COO]- 386.16091 210.4
[M+Na-2H]- 348.12173 179.3
[M]+ 327.14651 179.6
[M]- 327.14761 179.6
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.