CID 216348

130946-70-2

Structural Information

Molecular Formula
C21H16FN3
SMILES
CC1=CC(=NC2=C1C=C(C=C2)F)N3C4=C(CC5=CC=CC=C54)C(=N3)C
InChI
InChI=1S/C21H16FN3/c1-12-9-20(23-19-8-7-15(22)11-17(12)19)25-21-16-6-4-3-5-14(16)10-18(21)13(2)24-25/h3-9,11H,10H2,1-2H3
InChIKey
BRSYQAAQRBKEEW-UHFFFAOYSA-N
Compound name
1-(6-fluoro-4-methylquinolin-2-yl)-3-methyl-4H-indeno[1,2-c]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1328 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.14008 179.9
[M+Na]+ 352.12202 193.7
[M-H]- 328.12552 186.2
[M+NH4]+ 347.16662 197.1
[M+K]+ 368.09596 185.1
[M+H-H2O]+ 312.13006 169.7
[M+HCOO]- 374.13100 198.8
[M+CH3COO]- 388.14665 191.8
[M+Na-2H]- 350.10747 181.9
[M]+ 329.13225 183.5
[M]- 329.13335 183.5
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.