CID 45139642

Mpt0b014

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

2
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 174.4
[M+Na]+ 346.10497 190.4
[M+NH4]+ 341.14957 182.1
[M+K]+ 362.07891 182.8
[M-H]- 322.10847 178.6
[M+Na-2H]- 344.09042 182.7
[M]+ 323.11520 178.1
[M]- 323.11630 178.1
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

patents stripe