CID 154631191

N-(4-chloro-3-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine

Structural Information

Molecular Formula
C14H7ClF2N4O2
SMILES
C1=CC(=C(C=C1NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])F)F)Cl
InChI
InChI=1S/C14H7ClF2N4O2/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
QXBNYJKEECMYRP-UHFFFAOYSA-N
Compound name
N-(4-chloro-3-fluorophenyl)-7-fluoro-6-nitroquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.02255 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.02983 168.5
[M+Na]+ 359.01177 178.5
[M-H]- 335.01527 171.3
[M+NH4]+ 354.05637 180.2
[M+K]+ 374.98571 167.6
[M+H-H2O]+ 319.01981 162.3
[M+HCOO]- 381.02075 184.9
[M+CH3COO]- 395.03640 206.2
[M+Na-2H]- 356.99722 176.5
[M]+ 336.02200 167.5
[M]- 336.02310 167.5
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.