CID 30029

2-piperidinoethyl 2,5-dichlorocarbanilate hydrochloride

Structural Information

Molecular Formula
C14H18Cl2N2O2
SMILES
C1CCN(CC1)CCOC(=O)NC2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C14H18Cl2N2O2/c15-11-4-5-12(16)13(10-11)17-14(19)20-9-8-18-6-2-1-3-7-18/h4-5,10H,1-3,6-9H2,(H,17,19)
InChIKey
ZUKMRKIGVZXXOS-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl N-(2,5-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.07452 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.08180 170.1
[M+Na]+ 339.06374 175.8
[M-H]- 315.06724 173.6
[M+NH4]+ 334.10834 184.1
[M+K]+ 355.03768 170.3
[M+H-H2O]+ 299.07178 162.9
[M+HCOO]- 361.07272 179.9
[M+CH3COO]- 375.08837 203.7
[M+Na-2H]- 337.04919 171.8
[M]+ 316.07397 170.3
[M]- 316.07507 170.3
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.