CID 28054

K 920

Structural Information

Molecular Formula
C15H20Cl2N2O3
SMILES
COC1=CC(=C(C(=C1)Cl)NC(=O)OCCN2CCCCC2)Cl
InChI
InChI=1S/C15H20Cl2N2O3/c1-21-11-9-12(16)14(13(17)10-11)18-15(20)22-8-7-19-5-3-2-4-6-19/h9-10H,2-8H2,1H3,(H,18,20)
InChIKey
VEUFBZUKDSTVBU-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl N-(2,6-dichloro-4-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.08508 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.09236 176.8
[M+Na]+ 369.07430 182.8
[M-H]- 345.07780 180.6
[M+NH4]+ 364.11890 189.8
[M+K]+ 385.04824 177.9
[M+H-H2O]+ 329.08234 169.5
[M+HCOO]- 391.08328 186.5
[M+CH3COO]- 405.09893 209.9
[M+Na-2H]- 367.05975 177.4
[M]+ 346.08453 179.2
[M]- 346.08563 179.2
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.