CID 120939

1877-54-9

Structural Information

Molecular Formula
C26H36N2O2
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)OC(=O)C(C)N2CCN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C26H36N2O2/c1-19(2)23-12-9-13-24(20(3)4)25(23)30-26(29)21(5)28-16-14-27(15-17-28)18-22-10-7-6-8-11-22/h6-13,19-21H,14-18H2,1-5H3
InChIKey
NNDGVKCHTROHAP-UHFFFAOYSA-N
Compound name
[2,6-di(propan-2-yl)phenyl] 2-(4-benzylpiperazin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.27768 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.28496 204.2
[M+Na]+ 431.26690 205.3
[M-H]- 407.27040 209.2
[M+NH4]+ 426.31150 211.1
[M+K]+ 447.24084 201.0
[M+H-H2O]+ 391.27494 192.7
[M+HCOO]- 453.27588 215.2
[M+CH3COO]- 467.29153 229.4
[M+Na-2H]- 429.25235 198.8
[M]+ 408.27713 202.1
[M]- 408.27823 202.1
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

No patent data available for this compound.