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]+ 377.27986 196.3
[M+Na]+ 399.26180 197.0
[M-H]- 375.26530 199.1
[M+NH4]+ 394.30640 206.1
[M+K]+ 415.23574 193.3
[M+H-H2O]+ 359.26984 185.9
[M+HCOO]- 421.27078 213.1
[M+CH3COO]- 435.28643 222.3
[M+Na-2H]- 397.24725 195.0
[M]+ 376.27203 197.3
[M]- 376.27313 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.