CID 208495

T 2437

Structural Information

Molecular Formula
C21H34N2O3
SMILES
CCCN1CCN(CC1)CCOC(=O)COC2=C(C=CC(=C2)C)C(C)C
InChI
InChI=1S/C21H34N2O3/c1-5-8-22-9-11-23(12-10-22)13-14-25-21(24)16-26-20-15-18(4)6-7-19(20)17(2)3/h6-7,15,17H,5,8-14,16H2,1-4H3
InChIKey
RKJDGZZNCQKQLT-UHFFFAOYSA-N
Compound name
2-(4-propylpiperazin-1-yl)ethyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.25696 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.26424 192.7
[M+Na]+ 385.24618 195.5
[M-H]- 361.24968 194.9
[M+NH4]+ 380.29078 202.4
[M+K]+ 401.22012 192.4
[M+H-H2O]+ 345.25422 182.5
[M+HCOO]- 407.25516 206.5
[M+CH3COO]- 421.27081 219.0
[M+Na-2H]- 383.23163 189.7
[M]+ 362.25641 194.4
[M]- 362.25751 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.