CID 9949064

6-[2-(2,5-dimethoxyphenyl)ethyl]-4-ethyl-quinazoline

Structural Information

Molecular Formula
C20H22N2O2
SMILES
CCC1=NC=NC2=C1C=C(C=C2)CCC3=C(C=CC(=C3)OC)OC
InChI
InChI=1S/C20H22N2O2/c1-4-18-17-11-14(6-9-19(17)22-13-21-18)5-7-15-12-16(23-2)8-10-20(15)24-3/h6,8-13H,4-5,7H2,1-3H3
InChIKey
PLSOFLNMARXGBD-UHFFFAOYSA-N
Compound name
6-[2-(2,5-dimethoxyphenyl)ethyl]-4-ethylquinazoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

322.16812 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 179.6
[M+Na]+ 345.15734 188.4
[M-H]- 321.16084 184.4
[M+NH4]+ 340.20194 192.3
[M+K]+ 361.13128 183.1
[M+H-H2O]+ 305.16538 169.1
[M+HCOO]- 367.16632 199.1
[M+CH3COO]- 381.18197 211.5
[M+Na-2H]- 343.14279 184.5
[M]+ 322.16757 184.6
[M]- 322.16867 184.6
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.