CID 41835

Medroxalol

Structural Information

Molecular Formula
C20H24N2O5
SMILES
CC(CCC1=CC2=C(C=C1)OCO2)NCC(C3=CC(=C(C=C3)O)C(=O)N)O
InChI
InChI=1S/C20H24N2O5/c1-12(2-3-13-4-7-18-19(8-13)27-11-26-18)22-10-17(24)14-5-6-16(23)15(9-14)20(21)25/h4-9,12,17,22-24H,2-3,10-11H2,1H3,(H2,21,25)
InChIKey
MPQWSYJGFLADEW-UHFFFAOYSA-N
Compound name
5-[2-[4-(1,3-benzodioxol-5-yl)butan-2-ylamino]-1-hydroxyethyl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

33
References

1163
Patents

372.16852 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.17580 190.6
[M+Na]+ 395.15774 193.7
[M-H]- 371.16124 196.0
[M+NH4]+ 390.20234 200.1
[M+K]+ 411.13168 192.5
[M+H-H2O]+ 355.16578 182.9
[M+HCOO]- 417.16672 206.5
[M+CH3COO]- 431.18237 219.8
[M+Na-2H]- 393.14319 190.2
[M]+ 372.16797 191.0
[M]- 372.16907 191.0
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.