CID 3072641

143503-39-3

Structural Information

Molecular Formula
C22H36N2O4
SMILES
CCCCOC1=CC=CC(=C1)NC(=O)OC(CN2CCCCC2)COCCC
InChI
InChI=1S/C22H36N2O4/c1-3-5-15-27-20-11-9-10-19(16-20)23-22(25)28-21(18-26-14-4-2)17-24-12-7-6-8-13-24/h9-11,16,21H,3-8,12-15,17-18H2,1-2H3,(H,23,25)
InChIKey
WAIVCFVOSDXGAA-UHFFFAOYSA-N
Compound name
(1-piperidin-1-yl-3-propoxypropan-2-yl) N-(3-butoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.26752 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.27480 199.2
[M+Na]+ 415.25674 198.5
[M-H]- 391.26024 201.6
[M+NH4]+ 410.30134 207.9
[M+K]+ 431.23068 196.1
[M+H-H2O]+ 375.26478 188.5
[M+HCOO]- 437.26572 215.1
[M+CH3COO]- 451.28137 223.3
[M+Na-2H]- 413.24219 197.6
[M]+ 392.26697 200.4
[M]- 392.26807 200.4
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.