CID 44537247

1225195-70-9

Structural Information

Molecular Formula
C25H38N2O4
SMILES
CC(C)NCC(COC1=CC=C(C=C1)CC2=CC=C(C=C2)OCC(CNC(C)C)O)O
InChI
InChI=1S/C25H38N2O4/c1-18(2)26-14-22(28)16-30-24-9-5-20(6-10-24)13-21-7-11-25(12-8-21)31-17-23(29)15-27-19(3)4/h5-12,18-19,22-23,26-29H,13-17H2,1-4H3
InChIKey
MNVJIHMQUQYNOM-UHFFFAOYSA-N
Compound name
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

430.28317 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.29045 209.9
[M+Na]+ 453.27239 209.0
[M-H]- 429.27589 212.0
[M+NH4]+ 448.31699 216.9
[M+K]+ 469.24633 206.2
[M+H-H2O]+ 413.28043 200.2
[M+HCOO]- 475.28137 226.2
[M+CH3COO]- 489.29702 234.1
[M+Na-2H]- 451.25784 206.0
[M]+ 430.28262 211.6
[M]- 430.28372 211.6
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.