CID 139594483

2-[2,5-dihydroxy-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide

Structural Information

Molecular Formula
C14H22N2O5
SMILES
CC(C)NCC(COC1=C(C=C(C(=C1)O)CC(=O)N)O)O
InChI
InChI=1S/C14H22N2O5/c1-8(2)16-6-10(17)7-21-13-5-11(18)9(3-12(13)19)4-14(15)20/h3,5,8,10,16-19H,4,6-7H2,1-2H3,(H2,15,20)
InChIKey
CBNIDMMXSUHSJH-UHFFFAOYSA-N
Compound name
2-[2,5-dihydroxy-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.15286 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.160136 169.7
[M+Na]+ 321.142078 173.5
[M-H]- 297.145584 168.6
[M+NH4]+ 316.186683 181.9
[M+K]+ 337.116018 171.8
[M+H-H2O]+ 281.150120 162.7
[M+HCOO]- 343.151061 187.6
[M+CH3COO]- 357.166711 205.1
[M+Na-2H]- 319.127526 167.5
[M]+ 298.15231142 168.9
[M]- 298.15340858 168.9
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.