CID 511990

61135-36-2

Structural Information

Molecular Formula
C11H12Br2N2O5
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C=C(Br)Br)CO)O
InChI
InChI=1S/C11H12Br2N2O5/c12-8(13)1-5-3-15(11(19)14-10(5)18)9-2-6(17)7(4-16)20-9/h1,3,6-7,9,16-17H,2,4H2,(H,14,18,19)/t6-,7+,9+/m0/s1
InChIKey
OGFRDDQDVKGOPG-LKEWCRSYSA-N
Compound name
5-(2,2-dibromoethenyl)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

409.9113 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.91858 161.9
[M+Na]+ 432.90052 171.6
[M-H]- 408.90402 166.6
[M+NH4]+ 427.94512 174.1
[M+K]+ 448.87446 156.2
[M+H-H2O]+ 392.90856 168.8
[M+HCOO]- 454.90950 171.4
[M+CH3COO]- 468.92515 211.5
[M+Na-2H]- 430.88597 163.6
[M]+ 409.91075 194.3
[M]- 409.91185 194.3
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.