CID 3069339

Cor 28 23

Structural Information

Molecular Formula
C22H31NO2
SMILES
CC1=CC(=C(C=C1O)C(C)C)OCCN(C)CCCC2=CC=CC=C2
InChI
InChI=1S/C22H31NO2/c1-17(2)20-16-21(24)18(3)15-22(20)25-14-13-23(4)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,15-17,24H,8,11-14H2,1-4H3
InChIKey
LLFYPBNQOFKJPP-UHFFFAOYSA-N
Compound name
2-methyl-4-[2-[methyl(3-phenylpropyl)amino]ethoxy]-5-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

341.23547 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.24275 187.4
[M+Na]+ 364.22469 191.6
[M-H]- 340.22819 193.3
[M+NH4]+ 359.26929 200.6
[M+K]+ 380.19863 188.1
[M+H-H2O]+ 324.23273 178.5
[M+HCOO]- 386.23367 208.4
[M+CH3COO]- 400.24932 220.0
[M+Na-2H]- 362.21014 186.8
[M]+ 341.23492 191.3
[M]- 341.23602 191.3
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