CID 3075563

185759-17-5

Structural Information

Molecular Formula
C18H25ClN2O3
SMILES
C1CCN(CC1)C(=O)OCCN2CCOC(C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H25ClN2O3/c19-16-6-4-15(5-7-16)17-14-20(10-12-23-17)11-13-24-18(22)21-8-2-1-3-9-21/h4-7,17H,1-3,8-14H2
InChIKey
GQONHKMYYNUMBZ-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.15536 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.16264 184.7
[M+Na]+ 375.14458 187.1
[M-H]- 351.14808 189.8
[M+NH4]+ 370.18918 193.3
[M+K]+ 391.11852 183.6
[M+H-H2O]+ 335.15262 173.9
[M+HCOO]- 397.15356 191.8
[M+CH3COO]- 411.16921 208.4
[M+Na-2H]- 373.13003 184.4
[M]+ 352.15481 181.1
[M]- 352.15591 181.1
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.