CID 710701

6-bromo-n-(4-methoxyphenyl)quinazolin-4-amine

Structural Information

Molecular Formula
C15H12BrN3O
SMILES
COC1=CC=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)Br
InChI
InChI=1S/C15H12BrN3O/c1-20-12-5-3-11(4-6-12)19-15-13-8-10(16)2-7-14(13)17-9-18-15/h2-9H,1H3,(H,17,18,19)
InChIKey
LNMOBOCUMOIVCH-UHFFFAOYSA-N
Compound name
6-bromo-N-(4-methoxyphenyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.01636 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.02364 165.0
[M+Na]+ 352.00558 176.6
[M-H]- 328.00908 172.5
[M+NH4]+ 347.05018 180.8
[M+K]+ 367.97952 164.1
[M+H-H2O]+ 312.01362 162.1
[M+HCOO]- 374.01456 184.8
[M+CH3COO]- 388.03021 178.2
[M+Na-2H]- 349.99103 174.7
[M]+ 329.01581 184.5
[M]- 329.01691 184.5
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.