CID 3074579

7-chloro-6-fluoro-4-((phenylmethylene)amino)-3-cinnolinecarboxamide

Structural Information

Molecular Formula
C16H10ClFN4O
SMILES
C1=CC=C(C=C1)C=NC2=C(N=NC3=CC(=C(C=C32)F)Cl)C(=O)N
InChI
InChI=1S/C16H10ClFN4O/c17-11-7-13-10(6-12(11)18)14(15(16(19)23)22-21-13)20-8-9-4-2-1-3-5-9/h1-8H,(H2,19,23)
InChIKey
OFYOLXRFHLEKKD-UHFFFAOYSA-N
Compound name
4-(benzylideneamino)-7-chloro-6-fluorocinnoline-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

328.0527 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.05998 173.1
[M+Na]+ 351.04192 183.8
[M-H]- 327.04542 178.0
[M+NH4]+ 346.08652 186.2
[M+K]+ 367.01586 176.5
[M+H-H2O]+ 311.04996 162.8
[M+HCOO]- 373.05090 190.7
[M+CH3COO]- 387.06655 184.1
[M+Na-2H]- 349.02737 178.6
[M]+ 328.05215 174.4
[M]- 328.05325 174.4
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