CID 3061432

Brn 5644877

Structural Information

Molecular Formula
C24H24N4O2
SMILES
CC1=C(N=CC=C1)NC2=CC=C(C=C2)CN3CCN(C(=O)C3=O)CC4=CC=CC=C4
InChI
InChI=1S/C24H24N4O2/c1-18-6-5-13-25-22(18)26-21-11-9-20(10-12-21)17-28-15-14-27(23(29)24(28)30)16-19-7-3-2-4-8-19/h2-13H,14-17H2,1H3,(H,25,26)
InChIKey
MCDHUWRDXADGCY-UHFFFAOYSA-N
Compound name
1-benzyl-4-[[4-[(3-methylpyridin-2-yl)amino]phenyl]methyl]piperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1899 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.19718 200.7
[M+Na]+ 423.17912 206.2
[M-H]- 399.18262 208.4
[M+NH4]+ 418.22372 206.0
[M+K]+ 439.15306 198.4
[M+H-H2O]+ 383.18716 186.7
[M+HCOO]- 445.18810 217.0
[M+CH3COO]- 459.20375 207.9
[M+Na-2H]- 421.16457 202.1
[M]+ 400.18935 197.3
[M]- 400.19045 197.3
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.