CID 13498275

104450-29-5

Structural Information

Molecular Formula
C16H25NO4
SMILES
CC(C)NCC(COC1=C(C=C(C=C1)C(=O)C)COC)O
InChI
InChI=1S/C16H25NO4/c1-11(2)17-8-15(19)10-21-16-6-5-13(12(3)18)7-14(16)9-20-4/h5-7,11,15,17,19H,8-10H2,1-4H3
InChIKey
HUKQZGMIVBYQSD-UHFFFAOYSA-N
Compound name
1-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(methoxymethyl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.17834 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.185616 171.8
[M+Na]+ 318.167558 175.9
[M-H]- 294.171064 173.4
[M+NH4]+ 313.212163 186.1
[M+K]+ 334.141498 174.6
[M+H-H2O]+ 278.175600 164.6
[M+HCOO]- 340.176541 191.5
[M+CH3COO]- 354.192191 207.1
[M+Na-2H]- 316.153006 170.9
[M]+ 295.17779142 175.5
[M]- 295.17888858 175.5
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.