CID 509558

Chembl566185

Structural Information

Molecular Formula
C19H20N4O
SMILES
C=CCOC1=CC=C(C=C1)CCNC2=NC=NC3=C2C=C(C=C3)N
InChI
InChI=1S/C19H20N4O/c1-2-11-24-16-6-3-14(4-7-16)9-10-21-19-17-12-15(20)5-8-18(17)22-13-23-19/h2-8,12-13H,1,9-11,20H2,(H,21,22,23)
InChIKey
PSNULQIIRFVZQR-UHFFFAOYSA-N
Compound name
4-N-[2-(4-prop-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

320.1637 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17098 176.5
[M+Na]+ 343.15292 183.6
[M-H]- 319.15642 180.6
[M+NH4]+ 338.19752 188.1
[M+K]+ 359.12686 176.8
[M+H-H2O]+ 303.16096 165.9
[M+HCOO]- 365.16190 198.0
[M+CH3COO]- 379.17755 186.2
[M+Na-2H]- 341.13837 183.1
[M]+ 320.16315 176.5
[M]- 320.16425 176.5
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