CID 125274051

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

Structural Information

Molecular Formula
C14H7Cl2FN4O2
SMILES
C1=CC(=C(C=C1NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])F)Cl)Cl
InChI
InChI=1S/C14H7Cl2FN4O2/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
BZUFBRLIMSOXIS-UHFFFAOYSA-N
Compound name
N-(3,4-dichlorophenyl)-7-fluoro-6-nitroquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.993 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.00028 166.8
[M+Na]+ 374.98222 184.2
[M+NH4]+ 370.02682 174.7
[M+K]+ 390.95616 178.0
[M-H]- 350.98572 171.6
[M+Na-2H]- 372.96767 175.6
[M]+ 351.99245 171.2
[M]- 351.99355 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.