CID 510574

Chembl102479

Structural Information

Molecular Formula
C10H12IN5O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CI)N=[N+]=[N-])O
InChI
InChI=1S/C10H12IN5O4/c1-4-3-16(10(19)13-8(4)18)9-7(17)6(14-15-12)5(2-11)20-9/h3,5-7,9,17H,2H2,1H3,(H,13,18,19)/t5-,6-,7-,9-/m1/s1
InChIKey
BGZQWRRBJIJNFC-JXOAFFINSA-N
Compound name
1-[(2R,3R,4S,5S)-4-azido-3-hydroxy-5-(iodomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

392.9934 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.00068 176.2
[M+Na]+ 415.98262 177.7
[M-H]- 391.98612 175.1
[M+NH4]+ 411.02722 184.2
[M+K]+ 431.95656 176.1
[M+H-H2O]+ 375.99066 168.5
[M+HCOO]- 437.99160 195.1
[M+CH3COO]- 452.00725 205.3
[M+Na-2H]- 413.96807 169.7
[M]+ 392.99285 171.2
[M]- 392.99395 171.2
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

No patent data available for this compound.