CID 3079188

Dihydro-5-(4-chlorophenyl)-3-(4-morpholinylmethyl)-2(3h)-furanone (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C15H18ClNO3
SMILES
C1COCCN1CC2CC(OC2=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H18ClNO3/c16-13-3-1-11(2-4-13)14-9-12(15(18)20-14)10-17-5-7-19-8-6-17/h1-4,12,14H,5-10H2
InChIKey
WYVHIODNQMQSMI-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.09753 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10481 166.2
[M+Na]+ 318.08675 179.4
[M+NH4]+ 313.13135 174.5
[M+K]+ 334.06069 174.4
[M-H]- 294.09025 173.4
[M+Na-2H]- 316.07220 171.8
[M]+ 295.09698 170.4
[M]- 295.09808 170.4
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.