CID 3047491

Sl-d.178

Structural Information

Molecular Formula
C19H31NO4
SMILES
CC(C)(C)NCC(COC1=CC=C(C=C1)OCCOCC2CC2)O
InChI
InChI=1S/C19H31NO4/c1-19(2,3)20-12-16(21)14-24-18-8-6-17(7-9-18)23-11-10-22-13-15-4-5-15/h6-9,15-16,20-21H,4-5,10-14H2,1-3H3
InChIKey
FKJPQKYUSLNOLX-UHFFFAOYSA-N
Compound name
1-(tert-butylamino)-3-[4-[2-(cyclopropylmethoxy)ethoxy]phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

337.2253 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.23258 178.4
[M+Na]+ 360.21452 183.0
[M-H]- 336.21802 183.4
[M+NH4]+ 355.25912 186.6
[M+K]+ 376.18846 179.7
[M+H-H2O]+ 320.22256 170.9
[M+HCOO]- 382.22350 198.1
[M+CH3COO]- 396.23915 213.9
[M+Na-2H]- 358.19997 181.2
[M]+ 337.22475 185.4
[M]- 337.22585 185.4
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

patents stripe