CID 3064713

105384-16-5

Structural Information

Molecular Formula
C23H38N2O3
SMILES
CCCCCCCOC1=CC=CC(=C1)NC(=O)OC2CCN(CC2)CCCC
InChI
InChI=1S/C23H38N2O3/c1-3-5-7-8-9-18-27-22-12-10-11-20(19-22)24-23(26)28-21-13-16-25(17-14-21)15-6-4-2/h10-12,19,21H,3-9,13-18H2,1-2H3,(H,24,26)
InChIKey
FWUVWPVGVZNUEM-UHFFFAOYSA-N
Compound name
(1-butylpiperidin-4-yl) N-(3-heptoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.28824 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.295516 201.0
[M+Na]+ 413.277458 201.3
[M-H]- 389.280964 203.6
[M+NH4]+ 408.322063 210.3
[M+K]+ 429.251398 197.4
[M+H-H2O]+ 373.285500 190.4
[M+HCOO]- 435.286441 217.4
[M+CH3COO]- 449.302091 224.6
[M+Na-2H]- 411.262906 199.2
[M]+ 390.28769142 202.2
[M]- 390.28878858 202.2
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.