CID 57793

100347-55-5

Structural Information

Molecular Formula
C22H36N2O3
SMILES
CCCCNC1=CC(=C(C=C1)C(=O)OCCCN2CCCCC2)OCCC
InChI
InChI=1S/C22H36N2O3/c1-3-5-12-23-19-10-11-20(21(18-19)26-16-4-2)22(25)27-17-9-15-24-13-7-6-8-14-24/h10-11,18,23H,3-9,12-17H2,1-2H3
InChIKey
JDDHFXLLNNCKJB-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl 4-(butylamino)-2-propoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.27258 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.279856 196.3
[M+Na]+ 399.261798 197.0
[M-H]- 375.265304 199.1
[M+NH4]+ 394.306403 206.1
[M+K]+ 415.235738 193.3
[M+H-H2O]+ 359.269840 185.9
[M+HCOO]- 421.270781 213.1
[M+CH3COO]- 435.286431 222.3
[M+Na-2H]- 397.247246 195.0
[M]+ 376.27203142 197.3
[M]- 376.27312858 197.3
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.