CID 3060267

Brn 5638425

Structural Information

Molecular Formula
C23H22N4O2
SMILES
C1CN(C(=O)C(=O)N1CC2=CC=CC=C2)CC3=CC=C(C=C3)NC4=CC=CC=N4
InChI
InChI=1S/C23H22N4O2/c28-22-23(29)27(15-14-26(22)16-18-6-2-1-3-7-18)17-19-9-11-20(12-10-19)25-21-8-4-5-13-24-21/h1-13H,14-17H2,(H,24,25)
InChIKey
JSDSHJLWSRQTAN-UHFFFAOYSA-N
Compound name
1-benzyl-4-[[4-(pyridin-2-ylamino)phenyl]methyl]piperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.1743 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18158 195.3
[M+Na]+ 409.16352 200.3
[M-H]- 385.16702 202.8
[M+NH4]+ 404.20812 200.9
[M+K]+ 425.13746 192.7
[M+H-H2O]+ 369.17156 181.4
[M+HCOO]- 431.17250 212.1
[M+CH3COO]- 445.18815 202.7
[M+Na-2H]- 407.14897 198.1
[M]+ 386.17375 191.1
[M]- 386.17485 191.1
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.