CID 12361634

2144-69-6

Structural Information

Molecular Formula
C22H22O10
SMILES
C1=CC(=CC=C1C(=O)OCCO)C(=O)OCCOC(=O)C2=CC=C(C=C2)C(=O)OCCO
InChI
InChI=1S/C22H22O10/c23-9-11-29-19(25)15-1-5-17(6-2-15)21(27)31-13-14-32-22(28)18-7-3-16(4-8-18)20(26)30-12-10-24/h1-8,23-24H,9-14H2
InChIKey
SMNDVBDBKRCKDY-UHFFFAOYSA-N
Compound name
4-O-[2-[4-(2-hydroxyethoxycarbonyl)benzoyl]oxyethyl] 1-O-(2-hydroxyethyl) benzene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

446.1213 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.128576 199.1
[M+Na]+ 469.110518 201.4
[M-H]- 445.114024 202.1
[M+NH4]+ 464.155123 205.3
[M+K]+ 485.084458 201.3
[M+H-H2O]+ 429.118560 189.5
[M+HCOO]- 491.119501 216.2
[M+CH3COO]- 505.135151 222.6
[M+Na-2H]- 467.095966 197.0
[M]+ 446.12075142 206.6
[M]- 446.12184858 206.6
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

patents stripe