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 185.2
[M+Na]+ 368.09249 199.6
[M-H]- 344.09599 192.2
[M+NH4]+ 363.13709 202.6
[M+K]+ 384.06643 190.3
[M+H-H2O]+ 328.10053 175.8
[M+HCOO]- 390.10147 200.3
[M+CH3COO]- 404.11712 197.0
[M+Na-2H]- 366.07794 187.0
[M]+ 345.10272 191.7
[M]- 345.10382 191.7
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.