CID 135168

Denitronipradilol

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

5
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 166.0
[M+Na]+ 304.15194 174.9
[M+NH4]+ 299.19654 172.5
[M+K]+ 320.12588 170.7
[M-H]- 280.15544 168.1
[M+Na-2H]- 302.13739 167.9
[M]+ 281.16217 167.5
[M]- 281.16327 167.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe