CID 57746

100311-20-4

Structural Information

Molecular Formula
C23H38N2O3
SMILES
CCCCNC1=CC(=C(C=C1)C(=O)OCCCN2CCCCC2)OCCCC
InChI
InChI=1S/C23H38N2O3/c1-3-5-13-24-20-11-12-21(22(19-20)27-17-6-4-2)23(26)28-18-10-16-25-14-8-7-9-15-25/h11-12,19,24H,3-10,13-18H2,1-2H3
InChIKey
CFFITRKPHLULBB-UHFFFAOYSA-N
Compound name
3-piperidin-1-ylpropyl 2-butoxy-4-(butylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.28824 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.29552 200.6
[M+Na]+ 413.27746 200.8
[M-H]- 389.28096 203.2
[M+NH4]+ 408.32206 209.8
[M+K]+ 429.25140 197.0
[M+H-H2O]+ 373.28550 190.0
[M+HCOO]- 435.28644 217.1
[M+CH3COO]- 449.30209 225.2
[M+Na-2H]- 411.26291 198.9
[M]+ 390.28769 201.9
[M]- 390.28879 201.9
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.