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 165.8
[M+Na]+ 366.98010 175.7
[M-H]- 342.98360 173.4
[M+NH4]+ 362.02470 179.9
[M+K]+ 382.95404 159.5
[M+H-H2O]+ 326.98814 166.6
[M+HCOO]- 388.98908 186.6
[M+CH3COO]- 403.00473 203.9
[M+Na-2H]- 364.96555 177.4
[M]+ 343.99033 183.0
[M]- 343.99143 183.0
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

patents stripe