CID 710699

6-bromo-n-(3-nitrophenyl)quinazolin-4-amine

Structural Information

Molecular Formula
C14H9BrN4O2
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NC2=NC=NC3=C2C=C(C=C3)Br
InChI
InChI=1S/C14H9BrN4O2/c15-9-4-5-13-12(6-9)14(17-8-16-13)18-10-2-1-3-11(7-10)19(20)21/h1-8H,(H,16,17,18)
InChIKey
ZDVOSWDXTULZMF-UHFFFAOYSA-N
Compound name
6-bromo-N-(3-nitrophenyl)quinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

343.99088 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.99816 168.3
[M+Na]+ 366.98010 174.5
[M+NH4]+ 362.02470 172.8
[M+K]+ 382.95404 175.1
[M-H]- 342.98360 172.4
[M+Na-2H]- 364.96555 174.0
[M]+ 343.99033 169.2
[M]- 343.99143 169.2
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

patents stripe