CID 24845100

103922-51-6

Structural Information

Molecular Formula
C25H30N6O2
SMILES
C1CCN(CC1)CC2=CC(=NC=C2)OC/C=C\CNC3=NC=C(C(=O)N3)CC4=CN=CC=C4
InChI
InChI=1S/C25H30N6O2/c32-24-22(15-20-7-6-9-26-17-20)18-29-25(30-24)28-10-2-5-14-33-23-16-21(8-11-27-23)19-31-12-3-1-4-13-31/h2,5-9,11,16-18H,1,3-4,10,12-15,19H2,(H2,28,29,30,32)/b5-2-
InChIKey
WXVMDTAMBYWAKG-DJWKRKHSSA-N
Compound name
2-[[(Z)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]amino]-5-(pyridin-3-ylmethyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.243 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.25028 211.6
[M+Na]+ 469.23222 225.5
[M+NH4]+ 464.27682 215.6
[M+K]+ 485.20616 216.6
[M-H]- 445.23572 216.6
[M+Na-2H]- 467.21767 220.7
[M]+ 446.24245 214.7
[M]- 446.24355 214.7
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.