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 196.6
[M+Na]+ 405.23599 196.8
[M-H]- 381.23949 196.0
[M+NH4]+ 400.28059 205.9
[M+K]+ 421.20993 196.1
[M+H-H2O]+ 365.24403 188.4
[M+HCOO]- 427.24497 212.6
[M+CH3COO]- 441.26062 226.0
[M+Na-2H]- 403.22144 191.3
[M]+ 382.24622 199.1
[M]- 382.24732 199.1
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.