CID 216350

130946-68-8

Structural Information

Molecular Formula
C22H19N3O
SMILES
CC1=CC(=NC2=C1C=C(C=C2)OC)N3C4=C(CC5=CC=CC=C54)C(=N3)C
InChI
InChI=1S/C22H19N3O/c1-13-10-21(23-20-9-8-16(26-3)12-18(13)20)25-22-17-7-5-4-6-15(17)11-19(22)14(2)24-25/h4-10,12H,11H2,1-3H3
InChIKey
KBWOTHNYUHKJBD-UHFFFAOYSA-N
Compound name
1-(6-methoxy-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

341.1528 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.16008 182.9
[M+Na]+ 364.14202 201.1
[M+NH4]+ 359.18662 192.5
[M+K]+ 380.11596 194.9
[M-H]- 340.14552 188.2
[M+Na-2H]- 362.12747 190.2
[M]+ 341.15225 187.4
[M]- 341.15335 187.4
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

No patent data available for this compound.