CID 3069341

Cor 28 21

Structural Information

Molecular Formula
C21H29NO2
SMILES
CC1=CC(=C(C=C1O)C(C)C)OCCNCCCC2=CC=CC=C2
InChI
InChI=1S/C21H29NO2/c1-16(2)19-15-20(23)17(3)14-21(19)24-13-12-22-11-7-10-18-8-5-4-6-9-18/h4-6,8-9,14-16,22-23H,7,10-13H2,1-3H3
InChIKey
RVOOHQNYWQFXEN-UHFFFAOYSA-N
Compound name
2-methyl-4-[2-(3-phenylpropylamino)ethoxy]-5-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

327.21982 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.22710 182.7
[M+Na]+ 350.20904 187.2
[M-H]- 326.21254 187.3
[M+NH4]+ 345.25364 195.9
[M+K]+ 366.18298 182.5
[M+H-H2O]+ 310.21708 174.1
[M+HCOO]- 372.21802 203.5
[M+CH3COO]- 386.23367 213.7
[M+Na-2H]- 348.19449 183.4
[M]+ 327.21927 185.0
[M]- 327.22037 185.0
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