CID 3060265

Brn 5651626

Structural Information

Molecular Formula
C24H25N5O2
SMILES
CC1=CC(=NC=C1N)NC2=CC=C(C=C2)CN3CCN(C(=O)C3=O)CC4=CC=CC=C4
InChI
InChI=1S/C24H25N5O2/c1-17-13-22(26-14-21(17)25)27-20-9-7-19(8-10-20)16-29-12-11-28(23(30)24(29)31)15-18-5-3-2-4-6-18/h2-10,13-14H,11-12,15-16,25H2,1H3,(H,26,27)
InChIKey
XWCIXNCFJAEGNY-UHFFFAOYSA-N
Compound name
1-[[4-[(5-amino-4-methylpyridin-2-yl)amino]phenyl]methyl]-4-benzylpiperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.20084 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.20812 204.5
[M+Na]+ 438.19006 219.1
[M+NH4]+ 433.23466 210.1
[M+K]+ 454.16400 210.7
[M-H]- 414.19356 212.0
[M+Na-2H]- 436.17551 213.9
[M]+ 415.20029 208.5
[M]- 415.20139 208.5
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.