CID 46782247

154784-36-8

Structural Information

Molecular Formula
C27H41NO6
SMILES
CC(C)N(CC(COC1=CC=C(C=C1)CCOC)O)CC(COC2=CC=C(C=C2)CCOC)O
InChI
InChI=1S/C27H41NO6/c1-21(2)28(17-24(29)19-33-26-9-5-22(6-10-26)13-15-31-3)18-25(30)20-34-27-11-7-23(8-12-27)14-16-32-4/h5-12,21,24-25,29-30H,13-20H2,1-4H3
InChIKey
FPFJXNCXQDHWGC-UHFFFAOYSA-N
Compound name
1-[[2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]-propan-2-ylamino]-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

475.2934 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.30068 219.9
[M+Na]+ 498.28262 227.6
[M+NH4]+ 493.32722 223.3
[M+K]+ 514.25656 222.5
[M-H]- 474.28612 221.4
[M+Na-2H]- 496.26807 222.7
[M]+ 475.29285 221.0
[M]- 475.29395 221.0
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