CID 117397

Brn 1498672

Structural Information

Molecular Formula
C23H31NO2
SMILES
CC(C)CCC1(CCN(C1)CCC2=CC=C(C=C2)O)C3=CC(=CC=C3)O
InChI
InChI=1S/C23H31NO2/c1-18(2)10-12-23(20-4-3-5-22(26)16-20)13-15-24(17-23)14-11-19-6-8-21(25)9-7-19/h3-9,16,18,25-26H,10-15,17H2,1-2H3
InChIKey
UBTSFWVPGNDZKU-UHFFFAOYSA-N
Compound name
3-[1-[2-(4-hydroxyphenyl)ethyl]-3-(3-methylbutyl)pyrrolidin-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.23547 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.24275 189.3
[M+Na]+ 376.22469 193.6
[M-H]- 352.22819 194.4
[M+NH4]+ 371.26929 203.1
[M+K]+ 392.19863 187.7
[M+H-H2O]+ 336.23273 180.7
[M+HCOO]- 398.23367 205.0
[M+CH3COO]- 412.24932 210.8
[M+Na-2H]- 374.21014 187.3
[M]+ 353.23492 187.4
[M]- 353.23602 187.4
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

No patent data available for this compound.