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

5
Patents

480.2022 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.209476 217.3
[M+Na]+ 503.191418 221.8
[M-H]- 479.194924 223.8
[M+NH4]+ 498.236023 214.0
[M+K]+ 519.165358 211.7
[M+H-H2O]+ 463.199460 200.1
[M+HCOO]- 525.200401 230.4
[M+CH3COO]- 539.216051 221.3
[M+Na-2H]- 501.176866 221.7
[M]+ 480.20165142 212.4
[M]- 480.20274858 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