CID 6449003

7-chloro-6-fluoro-4-((3-phenyl-2-propenylidene)amino)-3-cinnolinecarboxamide

Structural Information

Molecular Formula
C18H12ClFN4O
SMILES
C1=CC=C(C=C1)/C=C/C=NC2=C(N=NC3=CC(=C(C=C32)F)Cl)C(=O)N
InChI
InChI=1S/C18H12ClFN4O/c19-13-10-15-12(9-14(13)20)16(17(18(21)25)24-23-15)22-8-4-7-11-5-2-1-3-6-11/h1-10H,(H2,21,25)/b7-4+,22-8?
InChIKey
UKKNZSGVUHOQNX-YEQYMXEUSA-N
Compound name
7-chloro-6-fluoro-4-[[(E)-3-phenylprop-2-enylidene]amino]cinnoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.06836 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.07564 181.7
[M+Na]+ 377.05758 191.8
[M-H]- 353.06108 186.2
[M+NH4]+ 372.10218 193.6
[M+K]+ 393.03152 183.5
[M+H-H2O]+ 337.06562 171.0
[M+HCOO]- 399.06656 198.7
[M+CH3COO]- 413.08221 191.8
[M+Na-2H]- 375.04303 186.0
[M]+ 354.06781 182.8
[M]- 354.06891 182.8
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

No patent data available for this compound.