CID 509547

Chembl568992

Structural Information

Molecular Formula
C17H18N4O
SMILES
COC1=CC=C(C=C1)CCNC2=NC=NC3=C2C=C(C=C3)N
InChI
InChI=1S/C17H18N4O/c1-22-14-5-2-12(3-6-14)8-9-19-17-15-10-13(18)4-7-16(15)20-11-21-17/h2-7,10-11H,8-9,18H2,1H3,(H,19,20,21)
InChIKey
USEXRSLGACJMSY-UHFFFAOYSA-N
Compound name
4-N-[2-(4-methoxyphenyl)ethyl]quinazoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

294.14807 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.155346 168.5
[M+Na]+ 317.137288 176.2
[M-H]- 293.140794 173.0
[M+NH4]+ 312.181893 181.3
[M+K]+ 333.111228 170.5
[M+H-H2O]+ 277.145330 158.4
[M+HCOO]- 339.146271 190.6
[M+CH3COO]- 353.161921 179.1
[M+Na-2H]- 315.122736 176.3
[M]+ 294.14752142 168.6
[M]- 294.14861858 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