CID 3069571

N-(2-cyclohexylcabonyloxy-3-(4-(2-pyridyl)piperazin-1-yl)propyl)succinimide maleate

Structural Information

Molecular Formula
C23H32N4O4
SMILES
C1CCC(CC1)C(=O)OC(CN2CCN(CC2)C3=CC=CC=N3)CN4C(=O)CCC4=O
InChI
InChI=1S/C23H32N4O4/c28-21-9-10-22(29)27(21)17-19(31-23(30)18-6-2-1-3-7-18)16-25-12-14-26(15-13-25)20-8-4-5-11-24-20/h4-5,8,11,18-19H,1-3,6-7,9-10,12-17H2
InChIKey
RZXAVWJBTZHCHQ-UHFFFAOYSA-N
Compound name
[1-(2,5-dioxopyrrolidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] cyclohexanecarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

428.24237 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.24965 204.7
[M+Na]+ 451.23159 212.8
[M+NH4]+ 446.27619 208.6
[M+K]+ 467.20553 209.6
[M-H]- 427.23509 207.3
[M+Na-2H]- 449.21704 208.2
[M]+ 428.24182 205.9
[M]- 428.24292 205.9
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

patents stripe