CID 216352

130946-66-6

Structural Information

Molecular Formula
C21H14ClN3O
SMILES
CC1=CC(=NC2=C1C=C(C=C2)Cl)N3C4=C(C(=N3)C)C(=O)C5=CC=CC=C54
InChI
InChI=1S/C21H14ClN3O/c1-11-9-18(23-17-8-7-13(22)10-16(11)17)25-20-14-5-3-4-6-15(14)21(26)19(20)12(2)24-25/h3-10H,1-2H3
InChIKey
GASPGUMHRVZMLJ-UHFFFAOYSA-N
Compound name
1-(6-chloro-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

359.08255 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.08983 188.2
[M+Na]+ 382.07177 203.5
[M-H]- 358.07527 195.8
[M+NH4]+ 377.11637 205.1
[M+K]+ 398.04571 194.5
[M+H-H2O]+ 342.07981 179.2
[M+HCOO]- 404.08075 203.7
[M+CH3COO]- 418.09640 200.3
[M+Na-2H]- 380.05722 189.4
[M]+ 359.08200 195.9
[M]- 359.08310 195.9
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.