CID 3794

Whi-p131

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

64
References

3520
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.