CID 60154

106609-78-3

Structural Information

Molecular Formula
C16H18ClNO3
SMILES
CC1(C(=C(C(=O)O1)Cl)C2=CC=CC=C2)CN3CCOCC3
InChI
InChI=1S/C16H18ClNO3/c1-16(11-18-7-9-20-10-8-18)13(14(17)15(19)21-16)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3
InChIKey
UCCGLLBMHKEJKA-UHFFFAOYSA-N
Compound name
3-chloro-5-methyl-5-(morpholin-4-ylmethyl)-4-phenylfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.09753 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.10481 168.2
[M+Na]+ 330.08675 182.3
[M+NH4]+ 325.13135 177.9
[M+K]+ 346.06069 175.2
[M-H]- 306.09025 175.6
[M+Na-2H]- 328.07220 176.1
[M]+ 307.09698 172.8
[M]- 307.09808 172.8
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.