CID 13882404

2,5-dimethyl-alpha-ethyl-alpha-(4-((6-methyl-2-pyridinyl)methoxy)phenyl)benzenemethanol

Structural Information

Molecular Formula
C24H27NO2
SMILES
CCC(C1=CC=C(C=C1)OCC2=CC=CC(=N2)C)(C3=C(C=CC(=C3)C)C)O
InChI
InChI=1S/C24H27NO2/c1-5-24(26,23-15-17(2)9-10-18(23)3)20-11-13-22(14-12-20)27-16-21-8-6-7-19(4)25-21/h6-15,26H,5,16H2,1-4H3
InChIKey
PLZPIZHEMQAIOB-UHFFFAOYSA-N
Compound name
1-(2,5-dimethylphenyl)-1-[4-[(6-methylpyridin-2-yl)methoxy]phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

361.2042 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.21148 191.5
[M+Na]+ 384.19342 198.4
[M-H]- 360.19692 198.5
[M+NH4]+ 379.23802 202.0
[M+K]+ 400.16736 192.4
[M+H-H2O]+ 344.20146 181.4
[M+HCOO]- 406.20240 209.5
[M+CH3COO]- 420.21805 217.0
[M+Na-2H]- 382.17887 194.0
[M]+ 361.20365 193.7
[M]- 361.20475 193.7
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

patents stripe