CID 3069571

84916-34-7

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

4
Patents

428.24237 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.249646 204.6
[M+Na]+ 451.231588 203.6
[M-H]- 427.235094 209.1
[M+NH4]+ 446.276193 208.4
[M+K]+ 467.205528 199.3
[M+H-H2O]+ 411.239630 191.1
[M+HCOO]- 473.240571 211.4
[M+CH3COO]- 487.256221 225.1
[M+Na-2H]- 449.217036 197.5
[M]+ 428.24182142 196.1
[M]- 428.24291858 196.1
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