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]+ 476.30068 221.1
[M+Na]+ 498.28262 220.2
[M-H]- 474.28612 224.1
[M+NH4]+ 493.32722 227.0
[M+K]+ 514.25656 219.1
[M+H-H2O]+ 458.29066 210.5
[M+HCOO]- 520.29160 237.5
[M+CH3COO]- 534.30725 240.9
[M+Na-2H]- 496.26807 216.3
[M]+ 475.29285 228.8
[M]- 475.29395 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