CID 3060271

Brn 5642870

Structural Information

Molecular Formula
C22H28N4O2
SMILES
CCCCCCN1CCN(C(=O)C1=O)CC2=CC=C(C=C2)NC3=CC=NC=C3
InChI
InChI=1S/C22H28N4O2/c1-2-3-4-5-14-25-15-16-26(22(28)21(25)27)17-18-6-8-19(9-7-18)24-20-10-12-23-13-11-20/h6-13H,2-5,14-17H2,1H3,(H,23,24)
InChIKey
JAKMSZLCTXLJKS-UHFFFAOYSA-N
Compound name
1-hexyl-4-[[4-(pyridin-4-ylamino)phenyl]methyl]piperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.22122 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.22850 196.0
[M+Na]+ 403.21044 200.4
[M-H]- 379.21394 200.3
[M+NH4]+ 398.25504 202.7
[M+K]+ 419.18438 193.7
[M+H-H2O]+ 363.21848 183.3
[M+HCOO]- 425.21942 212.2
[M+CH3COO]- 439.23507 223.1
[M+Na-2H]- 401.19589 196.9
[M]+ 380.22067 194.4
[M]- 380.22177 194.4
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.