CID 45139642

Refchem:913748

Structural Information

Molecular Formula
C19H17NO4
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)C2=CC3=C(C=C2)N=CC=C3
InChI
InChI=1S/C19H17NO4/c1-22-16-10-14(11-17(23-2)19(16)24-3)18(21)13-6-7-15-12(9-13)5-4-8-20-15/h4-11H,1-3H3
InChIKey
GSGXITQZCMSYKF-UHFFFAOYSA-N
Compound name
quinolin-6-yl-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

323.11575 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12303 174.6
[M+Na]+ 346.10497 183.4
[M-H]- 322.10847 181.3
[M+NH4]+ 341.14957 188.3
[M+K]+ 362.07891 180.1
[M+H-H2O]+ 306.11301 165.1
[M+HCOO]- 368.11395 195.4
[M+CH3COO]- 382.12960 210.3
[M+Na-2H]- 344.09042 179.1
[M]+ 323.11520 180.4
[M]- 323.11630 180.4
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

No patent data available for this compound.