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 179.3
[M+Na]+ 348.11074 193.1
[M-H]- 324.11424 187.0
[M+NH4]+ 343.15534 196.5
[M+K]+ 364.08468 185.2
[M+H-H2O]+ 308.11878 170.1
[M+HCOO]- 370.11972 199.6
[M+CH3COO]- 384.13537 191.7
[M+Na-2H]- 346.09619 182.0
[M]+ 325.12097 184.5
[M]- 325.12207 184.5
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.