CID 132303

Osutidine

Structural Information

Molecular Formula
C19H28N4O5S2
SMILES
CNCC1=CC=C(O1)CSCCNC(=NCC(C2=CC=C(C=C2)O)O)NS(=O)(=O)C
InChI
InChI=1S/C19H28N4O5S2/c1-20-11-16-7-8-17(28-16)13-29-10-9-21-19(23-30(2,26)27)22-12-18(25)14-3-5-15(24)6-4-14/h3-8,18,20,24-25H,9-13H2,1-2H3,(H2,21,22,23)
InChIKey
GZPOYVTZKHVRHE-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-1-[2-[[5-(methylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-3-methylsulfonylguanidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

206
Patents

456.15012 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.15740 205.3
[M+Na]+ 479.13934 208.5
[M+NH4]+ 474.18394 208.3
[M+K]+ 495.11328 204.2
[M-H]- 455.14284 207.6
[M+Na-2H]- 477.12479 207.1
[M]+ 456.14957 206.6
[M]- 456.15067 206.6
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