CID 36529

Brn 1488659

Structural Information

Molecular Formula
C16H23ClN2O2
SMILES
CCCN1CCC(CC1)OC(=O)NC2=C(C=CC=C2Cl)C
InChI
InChI=1S/C16H23ClN2O2/c1-3-9-19-10-7-13(8-11-19)21-16(20)18-15-12(2)5-4-6-14(15)17/h4-6,13H,3,7-11H2,1-2H3,(H,18,20)
InChIKey
JMHSMFKQKRUZBH-UHFFFAOYSA-N
Compound name
(1-propylpiperidin-4-yl) N-(2-chloro-6-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1448 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.152076 173.8
[M+Na]+ 333.134018 179.2
[M-H]- 309.137524 178.2
[M+NH4]+ 328.178623 187.9
[M+K]+ 349.107958 174.5
[M+H-H2O]+ 293.142060 165.9
[M+HCOO]- 355.143001 188.0
[M+CH3COO]- 369.158651 206.5
[M+Na-2H]- 331.119466 174.4
[M]+ 310.14425142 173.8
[M]- 310.14534858 173.8
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.