CID 1612038

4-methoxy-2-(4-propoxyphenyl)quinazoline

Structural Information

Molecular Formula
C18H18N2O2
SMILES
CCCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)OC
InChI
InChI=1S/C18H18N2O2/c1-3-12-22-14-10-8-13(9-11-14)17-19-16-7-5-4-6-15(16)18(20-17)21-2/h4-11H,3,12H2,1-2H3
InChIKey
YWKHKRITRQRVIW-UHFFFAOYSA-N
Compound name
4-methoxy-2-(4-propoxyphenyl)quinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

0
Patents

294.13684 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.144116 170.0
[M+Na]+ 317.126058 178.8
[M-H]- 293.129564 174.9
[M+NH4]+ 312.170663 183.6
[M+K]+ 333.099998 173.9
[M+H-H2O]+ 277.134100 159.7
[M+HCOO]- 339.135041 190.3
[M+CH3COO]- 353.150691 181.2
[M+Na-2H]- 315.111506 176.8
[M]+ 294.13629142 173.9
[M]- 294.13738858 173.9
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.