CID 494275

Nsc 356697

Structural Information

Molecular Formula
C12H14BrFN2O5
SMILES
CC1(OC2[C@H](O[C@H](C2O1)N3C=C(C(=O)NC3=O)Br)CF)C
InChI
InChI=1S/C12H14BrFN2O5/c1-12(2)20-7-6(3-14)19-10(8(7)21-12)16-4-5(13)9(17)15-11(16)18/h4,6-8,10H,3H2,1-2H3,(H,15,17,18)/t6-,7?,8?,10-/m1/s1
InChIKey
VYLTYUOOSXBYHS-NPDIDSPYSA-N
Compound name
5-bromo-1-[(4R,6S)-6-(fluoromethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.00702 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.01430 171.2
[M+Na]+ 386.99624 185.4
[M-H]- 362.99974 179.2
[M+NH4]+ 382.04084 187.5
[M+K]+ 402.97018 177.3
[M+H-H2O]+ 347.00428 172.0
[M+HCOO]- 409.00522 184.4
[M+CH3COO]- 423.02087 206.1
[M+Na-2H]- 384.98169 173.9
[M]+ 364.00647 192.6
[M]- 364.00757 192.6
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.