CID 3060264

Brn 5651625

Structural Information

Molecular Formula
C24H25N5O2
SMILES
CC1=C(C=CC(=N1)NC2=CC=C(C=C2)CN3CCN(C(=O)C3=O)CC4=CC=CC=C4)N
InChI
InChI=1S/C24H25N5O2/c1-17-21(25)11-12-22(26-17)27-20-9-7-19(8-10-20)16-29-14-13-28(23(30)24(29)31)15-18-5-3-2-4-6-18/h2-12H,13-16,25H2,1H3,(H,26,27)
InChIKey
DRUDXKIZYJISHH-UHFFFAOYSA-N
Compound name
1-[[4-[(5-amino-6-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 204.8
[M+Na]+ 438.19006 210.5
[M-H]- 414.19356 212.6
[M+NH4]+ 433.23466 209.4
[M+K]+ 454.16400 202.6
[M+H-H2O]+ 398.19810 191.2
[M+HCOO]- 460.19904 221.7
[M+CH3COO]- 474.21469 211.7
[M+Na-2H]- 436.17551 205.4
[M]+ 415.20029 200.5
[M]- 415.20139 200.5
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.