CID 12752222

Brn 5643859

Structural Information

Molecular Formula
C23H30N4O2
SMILES
CCCCCCN1CCN(C(=O)C1=O)CC2=CC=C(C=C2)NCC3=CC=NC=C3
InChI
InChI=1S/C23H30N4O2/c1-2-3-4-5-14-26-15-16-27(23(29)22(26)28)18-20-6-8-21(9-7-20)25-17-19-10-12-24-13-11-19/h6-13,25H,2-5,14-18H2,1H3
InChIKey
AJFQRBIGOHOPHQ-UHFFFAOYSA-N
Compound name
1-hexyl-4-[[4-(pyridin-4-ylmethylamino)phenyl]methyl]piperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.23688 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.24416 200.2
[M+Na]+ 417.22610 204.1
[M-H]- 393.22960 204.2
[M+NH4]+ 412.27070 206.3
[M+K]+ 433.20004 197.2
[M+H-H2O]+ 377.23414 187.3
[M+HCOO]- 439.23508 216.0
[M+CH3COO]- 453.25073 226.0
[M+Na-2H]- 415.21155 200.6
[M]+ 394.23633 199.0
[M]- 394.23743 199.0
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.