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]+ 393.274796 199.2
[M+Na]+ 415.256738 198.5
[M-H]- 391.260244 201.6
[M+NH4]+ 410.301343 207.9
[M+K]+ 431.230678 196.1
[M+H-H2O]+ 375.264780 188.5
[M+HCOO]- 437.265721 215.1
[M+CH3COO]- 451.281371 223.3
[M+Na-2H]- 413.242186 197.6
[M]+ 392.26697142 200.4
[M]- 392.26806858 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.