CID 24842187

97167-16-3

Structural Information

Molecular Formula
C20H26N2O5
SMILES
C1CN(CCN1CCCCCC(=O)O)C(=O)/C=C/C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C20H26N2O5/c23-19(8-6-16-5-7-17-18(14-16)27-15-26-17)22-12-10-21(11-13-22)9-3-1-2-4-20(24)25/h5-8,14H,1-4,9-13,15H2,(H,24,25)/b8-6+
InChIKey
UFSRRNISNPGWPO-SOFGYWHQSA-N
Compound name
6-[4-[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]piperazin-1-yl]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.18417 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.19145 191.3
[M+Na]+ 397.17339 193.9
[M-H]- 373.17689 194.2
[M+NH4]+ 392.21799 199.2
[M+K]+ 413.14733 191.8
[M+H-H2O]+ 357.18143 182.2
[M+HCOO]- 419.18237 201.8
[M+CH3COO]- 433.19802 213.2
[M+Na-2H]- 395.15884 189.8
[M]+ 374.18362 191.0
[M]- 374.18472 191.0
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.