CID 65824

Ronactolol

Structural Information

Molecular Formula
C20H26N2O4
SMILES
CC(C)NCC(COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC)O
InChI
InChI=1S/C20H26N2O4/c1-14(2)21-12-17(23)13-26-19-10-6-16(7-11-19)22-20(24)15-4-8-18(25-3)9-5-15/h4-11,14,17,21,23H,12-13H2,1-3H3,(H,22,24)
InChIKey
BPNZFFWEUGGXMC-UHFFFAOYSA-N
Compound name
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

80
Patents

358.18927 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.19655 187.0
[M+Na]+ 381.17849 189.5
[M-H]- 357.18199 191.5
[M+NH4]+ 376.22309 197.8
[M+K]+ 397.15243 187.1
[M+H-H2O]+ 341.18653 177.8
[M+HCOO]- 403.18747 207.8
[M+CH3COO]- 417.20312 219.5
[M+Na-2H]- 379.16394 187.2
[M]+ 358.18872 188.6
[M]- 358.18982 188.6
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.