CID 216351

130946-67-7

Structural Information

Molecular Formula
C21H14FN3O
SMILES
CC1=CC(=NC2=C1C=C(C=C2)F)N3C4=C(C(=N3)C)C(=O)C5=CC=CC=C54
InChI
InChI=1S/C21H14FN3O/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
GZSQTTMQTSMNES-UHFFFAOYSA-N
Compound name
1-(6-fluoro-4-methylquinolin-2-yl)-3-methylindeno[2,1-d]pyrazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1121 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.119376 183.1
[M+Na]+ 366.101318 197.8
[M-H]- 342.104824 189.8
[M+NH4]+ 361.145923 199.8
[M+K]+ 382.075258 189.4
[M+H-H2O]+ 326.109360 173.2
[M+HCOO]- 388.110301 202.3
[M+CH3COO]- 402.125951 195.1
[M+Na-2H]- 364.086766 184.5
[M]+ 343.11155142 187.8
[M]- 343.11264858 187.8
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.