CID 46138

Kl-3613

Structural Information

Molecular Formula
C19H30N2O3
SMILES
CCCCOC1=CC(=C(C=C1)NC(=O)OCCN2CCCCC2)C
InChI
InChI=1S/C19H30N2O3/c1-3-4-13-23-17-8-9-18(16(2)15-17)20-19(22)24-14-12-21-10-6-5-7-11-21/h8-9,15H,3-7,10-14H2,1-2H3,(H,20,22)
InChIKey
MEDZNVSJGXLLCL-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl N-(4-butoxy-2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.22565 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.23293 183.5
[M+Na]+ 357.21487 185.6
[M-H]- 333.21837 187.0
[M+NH4]+ 352.25947 195.1
[M+K]+ 373.18881 182.6
[M+H-H2O]+ 317.22291 173.7
[M+HCOO]- 379.22385 201.3
[M+CH3COO]- 393.23950 212.8
[M+Na-2H]- 355.20032 183.8
[M]+ 334.22510 183.3
[M]- 334.22620 183.3
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.