CID 3074581

159831-76-2

Structural Information

Molecular Formula
C16H10ClFN4O2
SMILES
C1=CC(=CC=C1C=NC2=C(N=NC3=CC(=C(C=C32)F)Cl)C(=O)N)O
InChI
InChI=1S/C16H10ClFN4O2/c17-11-6-13-10(5-12(11)18)14(15(16(19)24)22-21-13)20-7-8-1-3-9(23)4-2-8/h1-7,23H,(H2,19,24)
InChIKey
UXMSRJGGHKJSKK-UHFFFAOYSA-N
Compound name
7-chloro-6-fluoro-4-[(4-hydroxyphenyl)methylideneamino]cinnoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

344.04764 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.05492 176.4
[M+Na]+ 367.03686 187.3
[M-H]- 343.04036 180.3
[M+NH4]+ 362.08146 188.3
[M+K]+ 383.01080 180.1
[M+H-H2O]+ 327.04490 166.5
[M+HCOO]- 389.04584 192.6
[M+CH3COO]- 403.06149 186.8
[M+Na-2H]- 365.02231 180.8
[M]+ 344.04709 177.7
[M]- 344.04819 177.7
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