CID 3070074

85689-98-1

Structural Information

Molecular Formula
C23H31NO
SMILES
CC(C)N(CC1=CC=CC=C1)CC(C2=CC=C(C=C2)C3CCCC3)O
InChI
InChI=1S/C23H31NO/c1-18(2)24(16-19-8-4-3-5-9-19)17-23(25)22-14-12-21(13-15-22)20-10-6-7-11-20/h3-5,8-9,12-15,18,20,23,25H,6-7,10-11,16-17H2,1-2H3
InChIKey
HOXUKOAJBDWWTQ-UHFFFAOYSA-N
Compound name
2-[benzyl(propan-2-yl)amino]-1-(4-cyclopentylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.24057 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.24785 186.5
[M+Na]+ 360.22979 187.2
[M-H]- 336.23329 194.5
[M+NH4]+ 355.27439 200.4
[M+K]+ 376.20373 183.2
[M+H-H2O]+ 320.23783 177.4
[M+HCOO]- 382.23877 205.2
[M+CH3COO]- 396.25442 215.8
[M+Na-2H]- 358.21524 183.5
[M]+ 337.24002 183.1
[M]- 337.24112 183.1
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