CID 46148

63986-59-4

Structural Information

Molecular Formula
C20H32N2O3
SMILES
CCCCOC1=CC(=C(C=C1)NC(=O)OC(C)CN2CCCCC2)C
InChI
InChI=1S/C20H32N2O3/c1-4-5-13-24-18-9-10-19(16(2)14-18)21-20(23)25-17(3)15-22-11-7-6-8-12-22/h9-10,14,17H,4-8,11-13,15H2,1-3H3,(H,21,23)
InChIKey
FEMVZCRCQVTNMD-UHFFFAOYSA-N
Compound name
1-piperidin-1-ylpropan-2-yl N-(4-butoxy-2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.2413 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.248576 188.1
[M+Na]+ 371.230518 189.6
[M-H]- 347.234024 191.5
[M+NH4]+ 366.275123 199.2
[M+K]+ 387.204458 186.9
[M+H-H2O]+ 331.238560 178.4
[M+HCOO]- 393.239501 204.7
[M+CH3COO]- 407.255151 216.6
[M+Na-2H]- 369.215966 186.8
[M]+ 348.24075142 187.8
[M]- 348.24184858 187.8
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.