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]+ 389.172036 196.2
[M+Na]+ 411.153978 202.1
[M-H]- 387.157484 201.3
[M+NH4]+ 406.198583 198.9
[M+K]+ 427.127918 193.9
[M+H-H2O]+ 371.162020 181.2
[M+HCOO]- 433.162961 210.7
[M+CH3COO]- 447.178611 202.7
[M+Na-2H]- 409.139426 200.1
[M]+ 388.16421142 192.3
[M]- 388.16530858 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.