CID 3060248

Brn 5642749

Structural Information

Molecular Formula
C21H19N5O2
SMILES
C1CN(C(=O)C(=O)N1CC2=CC=C(C=C2)NC3=NC=CC=N3)C4=CC=CC=C4
InChI
InChI=1S/C21H19N5O2/c27-19-20(28)26(18-5-2-1-3-6-18)14-13-25(19)15-16-7-9-17(10-8-16)24-21-22-11-4-12-23-21/h1-12H,13-15H2,(H,22,23,24)
InChIKey
MNPPNLXNIKATMZ-UHFFFAOYSA-N
Compound name
1-phenyl-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

373.15387 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.16115 190.7
[M+Na]+ 396.14309 206.7
[M+NH4]+ 391.18769 196.7
[M+K]+ 412.11703 198.2
[M-H]- 372.14659 197.3
[M+Na-2H]- 394.12854 201.8
[M]+ 373.15332 194.8
[M]- 373.15442 194.8
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