CID 3060259

Brn 5649120

Structural Information

Molecular Formula
C23H23N5O2
SMILES
C1CN(C(=O)C(=O)N1CCC2=CC=CC=C2)CC3=CC=C(C=C3)NC4=NC=CC=N4
InChI
InChI=1S/C23H23N5O2/c29-21-22(30)28(16-15-27(21)14-11-18-5-2-1-3-6-18)17-19-7-9-20(10-8-19)26-23-24-12-4-13-25-23/h1-10,12-13H,11,14-17H2,(H,24,25,26)
InChIKey
BNDCTZKGMKFDKR-UHFFFAOYSA-N
Compound name
1-(2-phenylethyl)-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

401.18518 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.19246 199.5
[M+Na]+ 424.17440 214.9
[M+NH4]+ 419.21900 205.0
[M+K]+ 440.14834 206.0
[M-H]- 400.17790 205.9
[M+Na-2H]- 422.15985 209.9
[M]+ 401.18463 203.4
[M]- 401.18573 203.4
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

No patent data available for this compound.