CID 46782247

Unii-362awy4sp0

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]+ 476.300676 221.1
[M+Na]+ 498.282618 220.2
[M-H]- 474.286124 224.1
[M+NH4]+ 493.327223 227.0
[M+K]+ 514.256558 219.1
[M+H-H2O]+ 458.290660 210.5
[M+HCOO]- 520.291601 237.5
[M+CH3COO]- 534.307251 240.9
[M+Na-2H]- 496.268066 216.3
[M]+ 475.29285142 228.8
[M]- 475.29394858 228.8
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