CID 216349

130946-69-9

Structural Information

Molecular Formula
C21H16ClN3
SMILES
CC1=CC(=NC2=C1C=C(C=C2)Cl)N3C4=C(CC5=CC=CC=C54)C(=N3)C
InChI
InChI=1S/C21H16ClN3/c1-12-9-20(23-19-8-7-15(22)11-17(12)19)25-21-16-6-4-3-5-14(16)10-18(21)13(2)24-25/h3-9,11H,10H2,1-2H3
InChIKey
GVVDTDZLFNCWFD-UHFFFAOYSA-N
Compound name
1-(6-chloro-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

345.10327 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.11055 181.5
[M+Na]+ 368.09249 201.2
[M+NH4]+ 363.13709 192.0
[M+K]+ 384.06643 193.7
[M-H]- 344.09599 187.3
[M+Na-2H]- 366.07794 189.5
[M]+ 345.10272 186.7
[M]- 345.10382 186.7
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.