CID 14374334

85068-37-7

Structural Information

Molecular Formula
C23H28O5
SMILES
CCOC(=O)C(CC1CCCO1)(CC2=CC=CC3=CC=CC=C32)C(=O)OCC
InChI
InChI=1S/C23H28O5/c1-3-26-21(24)23(22(25)27-4-2,16-19-12-8-14-28-19)15-18-11-7-10-17-9-5-6-13-20(17)18/h5-7,9-11,13,19H,3-4,8,12,14-16H2,1-2H3
InChIKey
XGSMOSALSJBVLR-UHFFFAOYSA-N
Compound name
diethyl 2-(naphthalen-1-ylmethyl)-2-(oxolan-2-ylmethyl)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.19366 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.20094 194.7
[M+Na]+ 407.18288 197.5
[M-H]- 383.18638 201.4
[M+NH4]+ 402.22748 207.0
[M+K]+ 423.15682 195.9
[M+H-H2O]+ 367.19092 187.1
[M+HCOO]- 429.19186 210.5
[M+CH3COO]- 443.20751 217.7
[M+Na-2H]- 405.16833 195.4
[M]+ 384.19311 198.3
[M]- 384.19421 198.3
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.