CID 163197479

N-(3,4-difluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine

Structural Information

Molecular Formula
C14H7F3N4O2
SMILES
C1=CC(=C(C=C1NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])F)F)F
InChI
InChI=1S/C14H7F3N4O2/c15-9-2-1-7(3-10(9)16)20-14-8-4-13(21(22)23)11(17)5-12(8)18-6-19-14/h1-6H,(H,18,19,20)
InChIKey
DZRYHCITHKPDFS-UHFFFAOYSA-N
Compound name
N-(3,4-difluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.05212 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05940 164.7
[M+Na]+ 343.04134 174.5
[M-H]- 319.04484 166.7
[M+NH4]+ 338.08594 176.2
[M+K]+ 359.01528 164.3
[M+H-H2O]+ 303.04938 156.9
[M+HCOO]- 365.05032 184.8
[M+CH3COO]- 379.06597 205.3
[M+Na-2H]- 341.02679 172.8
[M]+ 320.05157 160.4
[M]- 320.05267 160.4
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.