CID 216354

130946-60-0

Structural Information

Molecular Formula
C21H15N3O
SMILES
CC1=CC(=NC2=CC=CC=C12)N3C4=C(C(=N3)C)C(=O)C5=CC=CC=C54
InChI
InChI=1S/C21H15N3O/c1-12-11-18(22-17-10-6-5-7-14(12)17)24-20-15-8-3-4-9-16(15)21(25)19(20)13(2)23-24/h3-11H,1-2H3
InChIKey
KQMOSNRFSFECJX-UHFFFAOYSA-N
Compound name
3-methyl-1-(4-methylquinolin-2-yl)indeno[1,2-c]pyrazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.12152 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.12880 177.6
[M+Na]+ 348.11074 196.0
[M+NH4]+ 343.15534 187.0
[M+K]+ 364.08468 190.0
[M-H]- 324.11424 182.7
[M+Na-2H]- 346.09619 185.1
[M]+ 325.12097 182.0
[M]- 325.12207 182.0
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.