CID 5687

4-[3-hydroxyanilino]-6,7-dimethoxyquinazoline

Structural Information

Molecular Formula
C16H15N3O3
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)O)OC
InChI
InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-4-3-5-11(20)6-10/h3-9,20H,1-2H3,(H,17,18,19)
InChIKey
BNDYIYYKEIXHNK-UHFFFAOYSA-N
Compound name
3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

388
Patents

297.11133 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11861 167.6
[M+Na]+ 320.10055 176.7
[M-H]- 296.10405 171.9
[M+NH4]+ 315.14515 180.3
[M+K]+ 336.07449 172.1
[M+H-H2O]+ 280.10859 157.9
[M+HCOO]- 342.10953 188.3
[M+CH3COO]- 356.12518 178.7
[M+Na-2H]- 318.08600 175.1
[M]+ 297.11078 170.3
[M]- 297.11188 170.3
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