CID 71724836

163685-37-8

Structural Information

Molecular Formula
C18H31NO5
SMILES
CC(C)NCC(COCC(COC1=CC=C(C=C1)CCOC)O)O
InChI
InChI=1S/C18H31NO5/c1-14(2)19-10-16(20)11-23-12-17(21)13-24-18-6-4-15(5-7-18)8-9-22-3/h4-7,14,16-17,19-21H,8-13H2,1-3H3
InChIKey
SETHZMZYJZUIRG-UHFFFAOYSA-N
Compound name
1-[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.2202 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.22748 185.3
[M+Na]+ 364.20942 186.6
[M-H]- 340.21292 184.6
[M+NH4]+ 359.25402 196.6
[M+K]+ 380.18336 185.3
[M+H-H2O]+ 324.21746 177.3
[M+HCOO]- 386.21840 202.8
[M+CH3COO]- 400.23405 212.2
[M+Na-2H]- 362.19487 183.7
[M]+ 341.21965 189.5
[M]- 341.22075 189.5
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

No patent data available for this compound.