CID 6473872

(5z)-1-[(2r,4s,5s)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-benzylidene-imidazolidine-2,4-dione

Structural Information

Molecular Formula
C15H15N5O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2/C(=C\C3=CC=CC=C3)/C(=O)NC2=O)CO)N=[N+]=[N-]
InChI
InChI=1S/C15H15N5O4/c16-19-18-10-7-13(24-12(10)8-21)20-11(14(22)17-15(20)23)6-9-4-2-1-3-5-9/h1-6,10,12-13,21H,7-8H2,(H,17,22,23)/b11-6-/t10-,12+,13+/m0/s1
InChIKey
XZNHSLBGEFXFBF-PGWGBSFCSA-N
Compound name
(5Z)-1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-benzylideneimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.1124 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.11968 175.4
[M+Na]+ 352.10162 180.2
[M-H]- 328.10512 183.4
[M+NH4]+ 347.14622 186.9
[M+K]+ 368.07556 171.6
[M+H-H2O]+ 312.10966 170.8
[M+HCOO]- 374.11060 197.8
[M+CH3COO]- 388.12625 203.9
[M+Na-2H]- 350.08707 178.2
[M]+ 329.11185 169.0
[M]- 329.11295 169.0
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.