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]+ 328.154336 176.7
[M+Na]+ 350.136278 183.6
[M-H]- 326.139784 182.6
[M+NH4]+ 345.180883 190.2
[M+K]+ 366.110218 180.6
[M+H-H2O]+ 310.144320 167.3
[M+HCOO]- 372.145261 194.7
[M+CH3COO]- 386.160911 210.4
[M+Na-2H]- 348.121726 179.3
[M]+ 327.14651142 179.6
[M]- 327.14760858 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.