CID 3025172

102233-14-7

Structural Information

Molecular Formula
C21H20N6O2
SMILES
C1C(=O)N(C(=O)CN1CC2=CC=C(C=C2)NC3=NC=CC=N3)CC4=CC=CC=N4
InChI
InChI=1S/C21H20N6O2/c28-19-14-26(15-20(29)27(19)13-18-4-1-2-9-22-18)12-16-5-7-17(8-6-16)25-21-23-10-3-11-24-21/h1-11H,12-15H2,(H,23,24,25)
InChIKey
INHMRSKZMDRVQU-UHFFFAOYSA-N
Compound name
1-(pyridin-2-ylmethyl)-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.16476 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.17204 196.2
[M+Na]+ 411.15398 202.1
[M-H]- 387.15748 201.3
[M+NH4]+ 406.19858 198.9
[M+K]+ 427.12792 193.9
[M+H-H2O]+ 371.16202 181.2
[M+HCOO]- 433.16296 210.7
[M+CH3COO]- 447.17861 202.7
[M+Na-2H]- 409.13943 200.1
[M]+ 388.16421 192.3
[M]- 388.16531 192.3
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.