CID 27331

K 923

Structural Information

Molecular Formula
C18H26Cl2N2O3
SMILES
CCCCOC1=CC(=C(C(=C1)Cl)NC(=O)OCCN2CCCCC2)Cl
InChI
InChI=1S/C18H26Cl2N2O3/c1-2-3-10-24-14-12-15(19)17(16(20)13-14)21-18(23)25-11-9-22-7-5-4-6-8-22/h12-13H,2-11H2,1H3,(H,21,23)
InChIKey
WTZCRQMQGWUHLY-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl N-(4-butoxy-2,6-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.13205 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.13933 190.1
[M+Na]+ 411.12127 194.8
[M-H]- 387.12477 193.3
[M+NH4]+ 406.16587 201.4
[M+K]+ 427.09521 189.2
[M+H-H2O]+ 371.12931 182.2
[M+HCOO]- 433.13025 198.8
[M+CH3COO]- 447.14590 218.6
[M+Na-2H]- 409.10672 189.2
[M]+ 388.13150 193.5
[M]- 388.13260 193.5
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.