CID 3795

Whi-p154

Structural Information

Molecular Formula
C16H14BrN3O3
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)O)Br)OC
InChI
InChI=1S/C16H14BrN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-13(21)11(17)5-9/h3-8,21H,1-2H3,(H,18,19,20)
InChIKey
CBIAKDAYHRWZCU-UHFFFAOYSA-N
Compound name
2-bromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

49
References

4010
Patents

375.02185 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.02913 178.4
[M+Na]+ 398.01107 183.9
[M+NH4]+ 393.05567 182.0
[M+K]+ 413.98501 182.8
[M-H]- 374.01457 180.6
[M+Na-2H]- 395.99652 182.5
[M]+ 375.02130 178.7
[M]- 375.02240 178.7
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