CID 3060252

Brn 5675766

Structural Information

Molecular Formula
C26H24N8O2
SMILES
C1CN(C(=O)C(=O)N1CC2=CC=C(C=C2)NC3=NC=CC=N3)CC4=CC=C(C=C4)NC5=NC=CC=N5
InChI
InChI=1S/C26H24N8O2/c35-23-24(36)34(18-20-5-9-22(10-6-20)32-26-29-13-2-14-30-26)16-15-33(23)17-19-3-7-21(8-4-19)31-25-27-11-1-12-28-25/h1-14H,15-18H2,(H,27,28,31)(H,29,30,32)
InChIKey
INJBZDXWCTXPTI-UHFFFAOYSA-N
Compound name
1,4-bis[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

480.2022 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.20948 217.3
[M+Na]+ 503.19142 221.8
[M-H]- 479.19492 223.8
[M+NH4]+ 498.23602 214.0
[M+K]+ 519.16536 211.7
[M+H-H2O]+ 463.19946 200.1
[M+HCOO]- 525.20040 230.4
[M+CH3COO]- 539.21605 221.3
[M+Na-2H]- 501.17687 221.7
[M]+ 480.20165 212.4
[M]- 480.20275 212.4
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

patents stripe