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]+ 381.169656 191.6
[M+Na]+ 403.151598 199.4
[M-H]- 379.155104 198.4
[M+NH4]+ 398.196203 204.1
[M+K]+ 419.125538 196.4
[M+H-H2O]+ 363.159640 183.3
[M+HCOO]- 425.160581 209.4
[M+CH3COO]- 439.176231 219.8
[M+Na-2H]- 401.137046 194.0
[M]+ 380.16183142 197.7
[M]- 380.16292858 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.