CID 3139

Dmpq dihydrochloride

Structural Information

Molecular Formula
C16H14N2O2
SMILES
COC1=CC2=C(C=C(C=N2)C3=CC=NC=C3)C(=C1)OC
InChI
InChI=1S/C16H14N2O2/c1-19-13-8-15-14(16(9-13)20-2)7-12(10-18-15)11-3-5-17-6-4-11/h3-10H,1-2H3
InChIKey
HBXDLZBPKJEWHZ-UHFFFAOYSA-N
Compound name
5,7-dimethoxy-3-pyridin-4-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

133
Patents

266.10553 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 160.6
[M+Na]+ 289.09475 178.0
[M+NH4]+ 284.13935 169.5
[M+K]+ 305.06869 169.2
[M-H]- 265.09825 165.4
[M+Na-2H]- 287.08020 170.8
[M]+ 266.10498 164.7
[M]- 266.10608 164.7
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