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
6
Annotation Hits

1834
References

6518
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

literature stripe

Patent stripe

patents stripe