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

3556
Patents

297.11133 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.118606 167.6
[M+Na]+ 320.100548 176.7
[M-H]- 296.104054 171.9
[M+NH4]+ 315.145153 180.3
[M+K]+ 336.074488 172.1
[M+H-H2O]+ 280.108590 157.9
[M+HCOO]- 342.109531 188.3
[M+CH3COO]- 356.125181 178.7
[M+Na-2H]- 318.085996 175.1
[M]+ 297.11078142 170.3
[M]- 297.11187858 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