CID 730543

4-tert-butylphenyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C19H22O4
SMILES
CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C19H22O4/c1-19(2,3)14-7-9-15(10-8-14)23-18(20)13-6-11-16(21-4)17(12-13)22-5/h6-12H,1-5H3
InChIKey
FPFFDKZMOPMMGA-UHFFFAOYSA-N
Compound name
(4-tert-butylphenyl) 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.1518 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15908 173.7
[M+Na]+ 337.14102 181.2
[M-H]- 313.14452 180.9
[M+NH4]+ 332.18562 188.7
[M+K]+ 353.11496 179.2
[M+H-H2O]+ 297.14906 166.1
[M+HCOO]- 359.15000 194.9
[M+CH3COO]- 373.16565 207.8
[M+Na-2H]- 335.12647 176.8
[M]+ 314.15125 179.6
[M]- 314.15235 179.6
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

No patent data available for this compound.