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]+ 323.175396 179.6
[M+Na]+ 345.157338 188.4
[M-H]- 321.160844 184.4
[M+NH4]+ 340.201943 192.3
[M+K]+ 361.131278 183.1
[M+H-H2O]+ 305.165380 169.1
[M+HCOO]- 367.166321 199.1
[M+CH3COO]- 381.181971 211.5
[M+Na-2H]- 343.142786 184.5
[M]+ 322.16757142 184.6
[M]- 322.16866858 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

patents stripe