CID 509545

Chembl566589

Structural Information

Molecular Formula
C17H18N4O
SMILES
COC1=CC=CC=C1CCNC2=NC=NC3=C2C=C(C=C3)N
InChI
InChI=1S/C17H18N4O/c1-22-16-5-3-2-4-12(16)8-9-19-17-14-10-13(18)6-7-15(14)20-11-21-17/h2-7,10-11H,8-9,18H2,1H3,(H,19,20,21)
InChIKey
AVFWMTYNHGAUGJ-UHFFFAOYSA-N
Compound name
4-N-[2-(2-methoxyphenyl)ethyl]quinazoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

294.14807 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15535 168.5
[M+Na]+ 317.13729 176.2
[M-H]- 293.14079 173.0
[M+NH4]+ 312.18189 181.3
[M+K]+ 333.11123 170.5
[M+H-H2O]+ 277.14533 158.4
[M+HCOO]- 339.14627 190.6
[M+CH3COO]- 353.16192 179.1
[M+Na-2H]- 315.12274 176.3
[M]+ 294.14752 168.6
[M]- 294.14862 168.6
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