CID 253602

Anisomycin

Structural Information

Molecular Formula

C₁₄H₁₉NO₄

SMILES

CC(=O)O[C@@H]1[C@H](CN[C@@H]1CC2=CC=C(C=C2)OC)O

InChI

InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1

InChIKey

YKJYKKNCCRKFSL-RDBSUJKOSA-N

Compound name

[(2R,3S,4S)-4-hydroxy-2-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl] acetate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 1835
References: 6223
Patents: 265.1314 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	266.138676	160.8
[M+Na]+	288.120618	166.8
[M-H]-	264.124124	163.4
[M+NH4]+	283.165223	176.5
[M+K]+	304.094558	163.9
[M+H-H2O]+	248.128660	153.8
[M+HCOO]-	310.129601	178.7
[M+CH3COO]-	324.145251	191.4
[M+Na-2H]-	286.106066	160.3
[M]+	265.13085142	160.1
[M]-	265.13194858	160.1

Literature stripe

literature stripe

Patent stripe

patents stripe