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

46
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 172.5
[M+Na]+ 374.98222 182.3
[M-H]- 350.98572 175.4
[M+NH4]+ 370.02682 183.9
[M+K]+ 390.95616 171.4
[M+H-H2O]+ 334.99026 167.7
[M+HCOO]- 396.99120 184.7
[M+CH3COO]- 411.00685 207.8
[M+Na-2H]- 372.96767 179.9
[M]+ 351.99245 173.8
[M]- 351.99355 173.8
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