CID 21847817

179552-73-9

Structural Information

Molecular Formula
C14H7Cl2FN4O2
SMILES
C1=CC(=C(C=C1NC2=NC=NC3=CC(=C(C=C32)[N+](=O)[O-])Cl)Cl)F
InChI
InChI=1S/C14H7Cl2FN4O2/c15-9-3-7(1-2-11(9)17)20-14-8-4-13(21(22)23)10(16)5-12(8)18-6-19-14/h1-6H,(H,18,19,20)
InChIKey
ALJPGKSDBZFNBR-UHFFFAOYSA-N
Compound name
7-chloro-N-(3-chloro-4-fluorophenyl)-6-nitroquinazolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
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.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe