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[1,2-c]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]+ 344.11938 183.1
[M+Na]+ 366.10132 197.8
[M-H]- 342.10482 189.8
[M+NH4]+ 361.14592 199.8
[M+K]+ 382.07526 189.4
[M+H-H2O]+ 326.10936 173.2
[M+HCOO]- 388.11030 202.3
[M+CH3COO]- 402.12595 195.1
[M+Na-2H]- 364.08677 184.5
[M]+ 343.11155 187.8
[M]- 343.11265 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.