CID 6451102

3'-hydroxymethyl ara-5-br-vinyl-u

Structural Information

Molecular Formula
C12H15BrN2O6
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)CO)O)/C=C/Br
InChI
InChI=1S/C12H15BrN2O6/c13-2-1-6-3-15(12(20)14-10(6)19)11-9(18)7(4-16)8(5-17)21-11/h1-3,7-9,11,16-18H,4-5H2,(H,14,19,20)/b2-1+/t7-,8-,9+,11-/m1/s1
InChIKey
LNMGBEHJIWCBAA-LMYMSVDUSA-N
Compound name
5-[(E)-2-bromoethenyl]-1-[(2R,3S,4S,5S)-3-hydroxy-4,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.01135 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.01863 170.2
[M+Na]+ 385.00057 181.4
[M-H]- 361.00407 173.1
[M+NH4]+ 380.04517 182.3
[M+K]+ 400.97451 169.1
[M+H-H2O]+ 345.00861 168.9
[M+HCOO]- 407.00955 182.8
[M+CH3COO]- 421.02520 199.8
[M+Na-2H]- 382.98602 170.7
[M]+ 362.01080 187.9
[M]- 362.01190 187.9
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.