CID 166295

72734-63-5

Structural Information

Molecular Formula
C20H27NO3
SMILES
CC(C)(CCC1=CC=CC=C1OC)NCC(C2=CC=C(C=C2)O)O
InChI
InChI=1S/C20H27NO3/c1-20(2,13-12-16-6-4-5-7-19(16)24-3)21-14-18(23)15-8-10-17(22)11-9-15/h4-11,18,21-23H,12-14H2,1-3H3
InChIKey
QQNHGKXYJUREIZ-UHFFFAOYSA-N
Compound name
4-[1-hydroxy-2-[[4-(2-methoxyphenyl)-2-methylbutan-2-yl]amino]ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

15
Patents

329.1991 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.20638 181.1
[M+Na]+ 352.18832 184.9
[M-H]- 328.19182 184.5
[M+NH4]+ 347.23292 193.2
[M+K]+ 368.16226 180.9
[M+H-H2O]+ 312.19636 173.2
[M+HCOO]- 374.19730 199.4
[M+CH3COO]- 388.21295 209.8
[M+Na-2H]- 350.17377 183.6
[M]+ 329.19855 181.7
[M]- 329.19965 181.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe