CID 270575

96267-40-2

Structural Information

Molecular Formula
C23H24O5
SMILES
CC(C)(C)OC(=O)C1=CC(=C2C=CC(=CC2=C1C3=CC(=CC=C3)OC)OC)O
InChI
InChI=1S/C23H24O5/c1-23(2,3)28-22(25)19-13-20(24)17-10-9-16(27-5)12-18(17)21(19)14-7-6-8-15(11-14)26-4/h6-13,24H,1-5H3
InChIKey
CGDMDXJXVPCFDX-UHFFFAOYSA-N
Compound name
tert-butyl 4-hydroxy-7-methoxy-1-(3-methoxyphenyl)naphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.16238 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.16966 191.6
[M+Na]+ 403.15160 199.4
[M-H]- 379.15510 198.4
[M+NH4]+ 398.19620 204.1
[M+K]+ 419.12554 196.4
[M+H-H2O]+ 363.15964 183.3
[M+HCOO]- 425.16058 209.4
[M+CH3COO]- 439.17623 219.8
[M+Na-2H]- 401.13705 194.0
[M]+ 380.16183 197.7
[M]- 380.16293 197.7
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.