CID 3060256

Brn 5653107

Structural Information

Molecular Formula
C22H22N6O2
SMILES
C1CN(C(=O)C(=O)N1CC2=CC=C(C=C2)N)CC3=CC=C(C=C3)NC4=NC=CC=N4
InChI
InChI=1S/C22H22N6O2/c23-18-6-2-16(3-7-18)14-27-12-13-28(21(30)20(27)29)15-17-4-8-19(9-5-17)26-22-24-10-1-11-25-22/h1-11H,12-15,23H2,(H,24,25,26)
InChIKey
VPHAUWMKEGFSQN-UHFFFAOYSA-N
Compound name
1-[(4-aminophenyl)methyl]-4-[[4-(pyrimidin-2-ylamino)phenyl]methyl]piperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.18042 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.18770 198.6
[M+Na]+ 425.16964 213.1
[M+NH4]+ 420.21424 203.7
[M+K]+ 441.14358 205.3
[M-H]- 401.17314 205.3
[M+Na-2H]- 423.15509 208.4
[M]+ 402.17987 202.3
[M]- 402.18097 202.3
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.