CID 208497

T 2438

Structural Information

Molecular Formula
C23H40N2O3
SMILES
CCC[N+]1(CC[N+](CC1)(C)CCOC(=O)COC2=C(C=CC(=C2)C)C(C)C)C
InChI
InChI=1S/C23H40N2O3/c1-7-10-24(5)11-13-25(6,14-12-24)15-16-27-23(26)18-28-22-17-20(4)8-9-21(22)19(2)3/h8-9,17,19H,7,10-16,18H2,1-6H3/q+2
InChIKey
UAVQZKBGHXROOP-UHFFFAOYSA-N
Compound name
2-(1,4-dimethyl-4-propylpiperazine-1,4-diium-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

392.3039 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.311176 197.0
[M+Na]+ 415.293118 200.3
[M-H]- 391.296624 200.0
[M+NH4]+ 410.337723 209.4
[M+K]+ 431.267058 186.5
[M+H-H2O]+ 375.301160 193.7
[M+HCOO]- 437.302101 209.0
[M+CH3COO]- 451.317751 210.5
[M+Na-2H]- 413.278566 200.4
[M]+ 392.30335142 196.5
[M]- 392.30444858 196.5
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.