CID 3047527

Sl-d.291

Structural Information

Molecular Formula
C20H33NO3
SMILES
CC(C)NCC(COC1=CC=C(C=C1)CCOCC2CCCC2)O
InChI
InChI=1S/C20H33NO3/c1-16(2)21-13-19(22)15-24-20-9-7-17(8-10-20)11-12-23-14-18-5-3-4-6-18/h7-10,16,18-19,21-22H,3-6,11-15H2,1-2H3
InChIKey
PWUCBVLHDKLBIN-UHFFFAOYSA-N
Compound name
1-[4-[2-(cyclopentylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.24603 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.25331 185.9
[M+Na]+ 358.23525 186.4
[M-H]- 334.23875 189.3
[M+NH4]+ 353.27985 199.7
[M+K]+ 374.20919 183.5
[M+H-H2O]+ 318.24329 177.7
[M+HCOO]- 380.24423 204.2
[M+CH3COO]- 394.25988 211.8
[M+Na-2H]- 356.22070 183.2
[M]+ 335.24548 185.8
[M]- 335.24658 185.8
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

No patent data available for this compound.