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 184.4
[M+Na]+ 360.21452 183.8
[M-H]- 336.21802 187.5
[M+NH4]+ 355.25912 189.7
[M+K]+ 376.18846 185.4
[M+H-H2O]+ 320.22256 169.8
[M+HCOO]- 382.22350 201.7
[M+CH3COO]- 396.23915 215.2
[M+Na-2H]- 358.19997 183.2
[M]+ 337.22475 195.3
[M]- 337.22585 195.3
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