CID 3060277

Brn 5633214

Structural Information

Molecular Formula
C21H26N4O2
SMILES
CCN(CC)C1=CC=C(C=C1)CN2CCN(C(=O)C2=O)CC3=CN=CC=C3
InChI
InChI=1S/C21H26N4O2/c1-3-23(4-2)19-9-7-17(8-10-19)15-24-12-13-25(21(27)20(24)26)16-18-6-5-11-22-14-18/h5-11,14H,3-4,12-13,15-16H2,1-2H3
InChIKey
PLOQKEXQPUMDKQ-UHFFFAOYSA-N
Compound name
1-[[4-(diethylamino)phenyl]methyl]-4-(pyridin-3-ylmethyl)piperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.20557 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.21285 190.7
[M+Na]+ 389.19479 204.2
[M+NH4]+ 384.23939 196.6
[M+K]+ 405.16873 196.4
[M-H]- 365.19829 195.6
[M+Na-2H]- 387.18024 198.6
[M]+ 366.20502 193.9
[M]- 366.20612 193.9
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.