CID 135168

3,4-dihydro-8-(2-hydroxy-3-isopropylaminopropoxy)-2h-1-benzopyran-3-ol

Structural Information

Molecular Formula
C15H23NO4
SMILES
CC(C)NCC(COC1=CC=CC2=C1OCC(C2)O)O
InChI
InChI=1S/C15H23NO4/c1-10(2)16-7-13(18)9-19-14-5-3-4-11-6-12(17)8-20-15(11)14/h3-5,10,12-13,16-18H,6-9H2,1-2H3
InChIKey
GEKRLAMHPJMGFS-UHFFFAOYSA-N
Compound name
8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromen-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

31
Patents

281.16272 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.17000 166.1
[M+Na]+ 304.15194 169.6
[M-H]- 280.15544 167.6
[M+NH4]+ 299.19654 179.9
[M+K]+ 320.12588 168.4
[M+H-H2O]+ 264.15998 159.3
[M+HCOO]- 326.16092 181.5
[M+CH3COO]- 340.17657 200.1
[M+Na-2H]- 302.13739 169.0
[M]+ 281.16217 165.6
[M]- 281.16327 165.6
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.