CID 216361

130946-65-5

Structural Information

Molecular Formula
C22H17N3O2
SMILES
CC1=CC(=NC2=C1C=C(C=C2)OC)N3C4=C(C(=N3)C)C(=O)C5=CC=CC=C54
InChI
InChI=1S/C22H17N3O2/c1-12-10-19(23-18-9-8-14(27-3)11-17(12)18)25-21-15-6-4-5-7-16(15)22(26)20(21)13(2)24-25/h4-11H,1-3H3
InChIKey
AQPKXVURWUVRLY-UHFFFAOYSA-N
Compound name
1-(6-methoxy-4-methylquinolin-2-yl)-3-methylindeno[1,2-c]pyrazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.13208 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.13936 186.1
[M+Na]+ 378.12130 204.1
[M+NH4]+ 373.16590 194.8
[M+K]+ 394.09524 198.5
[M-H]- 354.12480 190.7
[M+Na-2H]- 376.10675 192.6
[M]+ 355.13153 190.3
[M]- 355.13263 190.3
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.