CID 71315679

1215342-36-1

Structural Information

Molecular Formula
C19H33NO5
SMILES
CC(C)NCC(COC1=CC=C(C=C1)COCOCCOC(C)C)O
InChI
InChI=1S/C19H33NO5/c1-15(2)20-11-18(21)13-25-19-7-5-17(6-8-19)12-23-14-22-9-10-24-16(3)4/h5-8,15-16,18,20-21H,9-14H2,1-4H3
InChIKey
NGCBVUSSEGADND-UHFFFAOYSA-N
Compound name
1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethoxymethyl)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

355.23587 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.24315 189.8
[M+Na]+ 378.22509 191.1
[M-H]- 354.22859 190.3
[M+NH4]+ 373.26969 201.3
[M+K]+ 394.19903 190.4
[M+H-H2O]+ 338.23313 181.4
[M+HCOO]- 400.23407 208.5
[M+CH3COO]- 414.24972 217.5
[M+Na-2H]- 376.21054 188.1
[M]+ 355.23532 196.3
[M]- 355.23642 196.3
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