CID 3060257

Brn 5669561

Structural Information

Molecular Formula
C24H25N5O4
SMILES
COC1=CC(=C(C=C1)CN2CCN(C(=O)C2=O)CC3=CC=C(C=C3)NC4=NC=CC=N4)OC
InChI
InChI=1S/C24H25N5O4/c1-32-20-9-6-18(21(14-20)33-2)16-29-13-12-28(22(30)23(29)31)15-17-4-7-19(8-5-17)27-24-25-10-3-11-26-24/h3-11,14H,12-13,15-16H2,1-2H3,(H,25,26,27)
InChIKey
QSXYXIFKZIGXOC-UHFFFAOYSA-N
Compound name
1-[(2,4-dimethoxyphenyl)methyl]-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.19064 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.19792 210.5
[M+Na]+ 470.17986 225.5
[M+NH4]+ 465.22446 214.8
[M+K]+ 486.15380 217.8
[M-H]- 446.18336 216.2
[M+Na-2H]- 468.16531 219.4
[M]+ 447.19009 214.1
[M]- 447.19119 214.1
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.