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 188.3
[M+Na]+ 378.22509 195.2
[M+NH4]+ 373.26969 192.6
[M+K]+ 394.19903 190.9
[M-H]- 354.22859 187.8
[M+Na-2H]- 376.21054 189.9
[M]+ 355.23532 188.7
[M]- 355.23642 188.7
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