CID 3562069

380182-00-3

Structural Information

Molecular Formula
C30H26FN3O2
SMILES
CC1=NN(C2=C1C(C3=C(N2)CCCC3=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C6=CC=C(C=C6)F
InChI
InChI=1S/C30H26FN3O2/c1-19-27-28(21-10-16-24(17-11-21)36-18-20-6-3-2-4-7-20)29-25(8-5-9-26(29)35)32-30(27)34(33-19)23-14-12-22(31)13-15-23/h2-4,6-7,10-17,28,32H,5,8-9,18H2,1H3
InChIKey
CUJMLZAITJHQNC-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-methyl-4-(4-phenylmethoxyphenyl)-6,7,8,9-tetrahydro-4H-pyrazolo[3,4-b]quinolin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.2009 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.20818 223.9
[M+Na]+ 502.19012 240.5
[M+NH4]+ 497.23472 230.9
[M+K]+ 518.16406 231.4
[M-H]- 478.19362 230.5
[M+Na-2H]- 500.17557 231.3
[M]+ 479.20035 228.2
[M]- 479.20145 228.2
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.