CID 55611

Brn 4540411

Structural Information

Molecular Formula
C20H34N2O5
SMILES
CC(C)NCC(COC1=CC(=C(C=C1)C(=O)C)OCC(CNC(C)C)O)O
InChI
InChI=1S/C20H34N2O5/c1-13(2)21-9-16(24)11-26-18-6-7-19(15(5)23)20(8-18)27-12-17(25)10-22-14(3)4/h6-8,13-14,16-17,21-22,24-25H,9-12H2,1-5H3
InChIKey
HJMRKJGQMNYYGB-UHFFFAOYSA-N
Compound name
1-[2,4-bis[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.24677 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.25405 195.3
[M+Na]+ 405.23599 199.8
[M+NH4]+ 400.28059 197.9
[M+K]+ 421.20993 197.8
[M-H]- 381.23949 193.7
[M+Na-2H]- 403.22144 194.7
[M]+ 382.24622 194.8
[M]- 382.24732 194.8
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

No patent data available for this compound.