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 187.6
[M+Na]+ 378.12130 201.4
[M-H]- 354.12480 195.5
[M+NH4]+ 373.16590 203.8
[M+K]+ 394.09524 194.2
[M+H-H2O]+ 338.12934 178.4
[M+HCOO]- 400.13028 207.6
[M+CH3COO]- 414.14593 199.6
[M+Na-2H]- 376.10675 189.2
[M]+ 355.13153 194.8
[M]- 355.13263 194.8
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.