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

6177
Patents

265.1314 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 160.8
[M+Na]+ 288.12062 166.8
[M-H]- 264.12412 163.4
[M+NH4]+ 283.16522 176.5
[M+K]+ 304.09456 163.9
[M+H-H2O]+ 248.12866 153.8
[M+HCOO]- 310.12960 178.7
[M+CH3COO]- 324.14525 191.4
[M+Na-2H]- 286.10607 160.3
[M]+ 265.13085 160.1
[M]- 265.13195 160.1
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.