CID 509561

Chembl566146

Structural Information

Molecular Formula
C18H20N4O
SMILES
CCOC1=CC=C(C=C1)CCNC2=NC=NC3=C2C=C(C=C3)N
InChI
InChI=1S/C18H20N4O/c1-2-23-15-6-3-13(4-7-15)9-10-20-18-16-11-14(19)5-8-17(16)21-12-22-18/h3-8,11-12H,2,9-10,19H2,1H3,(H,20,21,22)
InChIKey
AVVJBDXGPHLCHN-UHFFFAOYSA-N
Compound name
4-N-[2-(4-ethoxyphenyl)ethyl]quinazoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

308.1637 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.17098 172.9
[M+Na]+ 331.15292 180.2
[M-H]- 307.15642 177.2
[M+NH4]+ 326.19752 185.2
[M+K]+ 347.12686 174.3
[M+H-H2O]+ 291.16096 162.5
[M+HCOO]- 353.16190 194.6
[M+CH3COO]- 367.17755 183.1
[M+Na-2H]- 329.13837 180.1
[M]+ 308.16315 173.3
[M]- 308.16425 173.3
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