CID 624265

87619-83-8

Structural Information

Molecular Formula
C25H35N3O6
SMILES
CC(C)N(CC(COC1=CC=C(C=C1)CC(=O)N)O)CC(COC2=CC=C(C=C2)CC(=O)N)O
InChI
InChI=1S/C25H35N3O6/c1-17(2)28(13-20(29)15-33-22-7-3-18(4-8-22)11-24(26)31)14-21(30)16-34-23-9-5-19(6-10-23)12-25(27)32/h3-10,17,20-21,29-30H,11-16H2,1-2H3,(H2,26,31)(H2,27,32)
InChIKey
SYUQLMYOHVGLTC-UHFFFAOYSA-N
Compound name
2-[4-[3-[[3-[4-(2-amino-2-oxoethyl)phenoxy]-2-hydroxypropyl]-propan-2-ylamino]-2-hydroxypropoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

473.2526 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.25988 215.5
[M+Na]+ 496.24182 219.7
[M+NH4]+ 491.28642 217.0
[M+K]+ 512.21576 218.0
[M-H]- 472.24532 216.2
[M+Na-2H]- 494.22727 216.5
[M]+ 473.25205 215.4
[M]- 473.25315 215.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe