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]+ 328.227096 182.7
[M+Na]+ 350.209038 187.2
[M-H]- 326.212544 187.3
[M+NH4]+ 345.253643 195.9
[M+K]+ 366.182978 182.5
[M+H-H2O]+ 310.217080 174.1
[M+HCOO]- 372.218021 203.5
[M+CH3COO]- 386.233671 213.7
[M+Na-2H]- 348.194486 183.4
[M]+ 327.21927142 185.0
[M]- 327.22036858 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