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 170.0
[M+Na]+ 330.08675 177.7
[M-H]- 306.09025 179.2
[M+NH4]+ 325.13135 185.1
[M+K]+ 346.06069 175.1
[M+H-H2O]+ 290.09479 162.5
[M+HCOO]- 352.09573 183.0
[M+CH3COO]- 366.11138 181.5
[M+Na-2H]- 328.07220 172.4
[M]+ 307.09698 171.1
[M]- 307.09808 171.1
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.