CID 3047525

Sle-096

Structural Information

Molecular Formula
C19H31NO4
SMILES
CC(C)NCC(COC1=CC=C(C=C1)OCCOCC2CCC2)O
InChI
InChI=1S/C19H31NO4/c1-15(2)20-12-17(21)14-24-19-8-6-18(7-9-19)23-11-10-22-13-16-4-3-5-16/h6-9,15-17,20-21H,3-5,10-14H2,1-2H3
InChIKey
LCDAELAZMVDIGV-UHFFFAOYSA-N
Compound name
1-[4-[2-(cyclobutylmethoxy)ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

337.2253 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.23258 186.6
[M+Na]+ 360.21452 190.0
[M+NH4]+ 355.25912 188.2
[M+K]+ 376.18846 186.3
[M-H]- 336.21802 185.6
[M+Na-2H]- 358.19997 187.3
[M]+ 337.22475 185.2
[M]- 337.22585 185.2
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