CID 491450

1-(2-napthyl)-3-(phenyl)-3-methylmalonyl-propanone

Structural Information

Molecular Formula
C24H22O5
SMILES
COC(=O)C(C(CC(=O)C1=CC=CC=C1)C2=CC3=CC=CC=C3C=C2)C(=O)OC
InChI
InChI=1S/C24H22O5/c1-28-23(26)22(24(27)29-2)20(15-21(25)17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)14-19/h3-14,20,22H,15H2,1-2H3
InChIKey
DVSOMUGBKPLRPB-UHFFFAOYSA-N
Compound name
dimethyl 2-(1-naphthalen-2-yl-3-oxo-3-phenylpropyl)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.14673 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.15401 193.3
[M+Na]+ 413.13595 196.4
[M-H]- 389.13945 199.6
[M+NH4]+ 408.18055 204.1
[M+K]+ 429.10989 194.0
[M+H-H2O]+ 373.14399 184.0
[M+HCOO]- 435.14493 210.3
[M+CH3COO]- 449.16058 221.6
[M+Na-2H]- 411.12140 192.7
[M]+ 390.14618 196.5
[M]- 390.14728 196.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.