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-methyl-2-pyridinyl)methoxy]phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

361.2042 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.211476 191.5
[M+Na]+ 384.193418 198.4
[M-H]- 360.196924 198.5
[M+NH4]+ 379.238023 202.0
[M+K]+ 400.167358 192.4
[M+H-H2O]+ 344.201460 181.4
[M+HCOO]- 406.202401 209.5
[M+CH3COO]- 420.218051 217.0
[M+Na-2H]- 382.178866 194.0
[M]+ 361.20365142 193.7
[M]- 361.20474858 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