CID 3075561

185759-16-4

Structural Information

Molecular Formula
C17H23ClN2O4
SMILES
C1COCCN1C(=O)OCCN2CCOC(C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H23ClN2O4/c18-15-3-1-14(2-4-15)16-13-19(5-11-23-16)6-12-24-17(21)20-7-9-22-10-8-20/h1-4,16H,5-13H2
InChIKey
KQHCHFHZTVDVMT-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.13464 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14192 184.0
[M+Na]+ 377.12386 186.9
[M-H]- 353.12736 190.0
[M+NH4]+ 372.16846 191.1
[M+K]+ 393.09780 185.2
[M+H-H2O]+ 337.13190 173.3
[M+HCOO]- 399.13284 190.7
[M+CH3COO]- 413.14849 207.9
[M+Na-2H]- 375.10931 184.8
[M]+ 354.13409 182.1
[M]- 354.13519 182.1
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.