CID 44152464

Einecs 277-977-7

Structural Information

Molecular Formula
C27H30O3
SMILES
CC1=CC(=C(C(=C1)CC(C)(C)C2=CC(=CC(=C2O)C)C)OC(=O)C3=CC=CC=C3)C
InChI
InChI=1S/C27H30O3/c1-17-13-20(4)25(30-26(29)21-10-8-7-9-11-21)22(14-17)16-27(5,6)23-15-18(2)12-19(3)24(23)28/h7-15,28H,16H2,1-6H3
InChIKey
AUDGCQQBJPBZHD-UHFFFAOYSA-N
Compound name
[2-[2-(2-hydroxy-3,5-dimethylphenyl)-2-methylpropyl]-4,6-dimethylphenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.21948 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.22676 200.4
[M+Na]+ 425.20870 207.7
[M-H]- 401.21220 209.3
[M+NH4]+ 420.25330 211.1
[M+K]+ 441.18264 202.5
[M+H-H2O]+ 385.21674 191.3
[M+HCOO]- 447.21768 218.2
[M+CH3COO]- 461.23333 227.4
[M+Na-2H]- 423.19415 199.1
[M]+ 402.21893 204.2
[M]- 402.22003 204.2
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.