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]+ 296.18562 171.8
[M+Na]+ 318.16756 175.9
[M-H]- 294.17106 173.4
[M+NH4]+ 313.21216 186.1
[M+K]+ 334.14150 174.6
[M+H-H2O]+ 278.17560 164.6
[M+HCOO]- 340.17654 191.5
[M+CH3COO]- 354.19219 207.1
[M+Na-2H]- 316.15301 170.9
[M]+ 295.17779 175.5
[M]- 295.17889 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.