CID 167528083

Wsd0628

Structural Information

Molecular Formula
C23H23F2N5O2
SMILES
CN1CC[C@H](C(C1)(F)F)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CN=C(C=C5)OC
InChI
InChI=1S/C23H23F2N5O2/c1-28-9-8-19(23(24,25)13-28)30-21-16-10-14(15-5-7-20(32-3)27-11-15)4-6-17(16)26-12-18(21)29(2)22(30)31/h4-7,10-12,19H,8-9,13H2,1-3H3/t19-/m1/s1
InChIKey
BUEJZHFNXQJGJW-LJQANCHMSA-N
Compound name
1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-8-(6-methoxypyridin-3-yl)-3-methylimidazo[4,5-c]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

439.18198 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.18926 207.7
[M+Na]+ 462.17120 222.7
[M+NH4]+ 457.21580 213.8
[M+K]+ 478.14514 214.7
[M-H]- 438.17470 209.2
[M+Na-2H]- 460.15665 213.8
[M]+ 439.18143 210.4
[M]- 439.18253 210.4
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

patents stripe