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
2
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]+ 359.196546 187.0
[M+Na]+ 381.178488 189.5
[M-H]- 357.181994 191.5
[M+NH4]+ 376.223093 197.8
[M+K]+ 397.152428 187.1
[M+H-H2O]+ 341.186530 177.8
[M+HCOO]- 403.187471 207.8
[M+CH3COO]- 417.203121 219.5
[M+Na-2H]- 379.163936 187.2
[M]+ 358.18872142 188.6
[M]- 358.18981858 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

literature stripe

Patent stripe

patents stripe