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 210.2
[M+Na]+ 469.23222 212.9
[M-H]- 445.23572 212.9
[M+NH4]+ 464.27682 209.7
[M+K]+ 485.20616 203.3
[M+H-H2O]+ 429.24026 194.7
[M+HCOO]- 491.24120 221.9
[M+CH3COO]- 505.25685 214.2
[M+Na-2H]- 467.21767 212.8
[M]+ 446.24245 205.3
[M]- 446.24355 205.3
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.