CID 1474852

N-(4-bromophenyl)-6,7-dimethoxyquinazolin-4-amine

Structural Information

Molecular Formula
C16H14BrN3O2
SMILES
COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)Br)OC
InChI
InChI=1S/C16H14BrN3O2/c1-21-14-7-12-13(8-15(14)22-2)18-9-19-16(12)20-11-5-3-10(17)4-6-11/h3-9H,1-2H3,(H,18,19,20)
InChIKey
MCNVTWIIWNZMGB-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-6,7-dimethoxyquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

19
Patents

359.02695 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.03423 172.6
[M+Na]+ 382.01617 184.3
[M-H]- 358.01967 180.2
[M+NH4]+ 377.06077 187.3
[M+K]+ 397.99011 172.2
[M+H-H2O]+ 342.02421 169.3
[M+HCOO]- 404.02515 192.1
[M+CH3COO]- 418.04080 185.4
[M+Na-2H]- 380.00162 181.0
[M]+ 359.02640 194.0
[M]- 359.02750 194.0
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.