CID 10372974

156639-36-0

Structural Information

Molecular Formula
C18H29NO4
SMILES
CCCOCC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C
InChI
InChI=1S/C18H29NO4/c1-5-8-22-11-15-6-7-18(17(9-15)14(4)20)23-12-16(21)10-19-13(2)3/h6-7,9,13,16,19,21H,5,8,10-12H2,1-4H3
InChIKey
CCOJZFVKVMICEM-UHFFFAOYSA-N
Compound name
1-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5-(propoxymethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.20966 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.216936 181.0
[M+Na]+ 346.198878 184.2
[M-H]- 322.202384 182.2
[M+NH4]+ 341.243483 194.1
[M+K]+ 362.172818 182.5
[M+H-H2O]+ 306.206920 173.4
[M+HCOO]- 368.207861 200.0
[M+CH3COO]- 382.223511 213.0
[M+Na-2H]- 344.184326 179.1
[M]+ 323.20911142 185.4
[M]- 323.21020858 185.4
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.