CID 452698

3'-(4-no2imidazol-1-yl)-b-ddu

Structural Information

Molecular Formula
C12H13N5O6
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)N3C=C(N=C3)[N+](=O)[O-]
InChI
InChI=1S/C12H13N5O6/c18-5-8-7(15-4-9(13-6-15)17(21)22)3-11(23-8)16-2-1-10(19)14-12(16)20/h1-2,4,6-8,11,18H,3,5H2,(H,14,19,20)/t7-,8+,11+/m0/s1
InChIKey
UBGVCWZNNLRDRR-VAOFZXAKSA-N
Compound name
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-(4-nitroimidazol-1-yl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.08658 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.09386 167.4
[M+Na]+ 346.07580 174.7
[M-H]- 322.07930 171.9
[M+NH4]+ 341.12040 175.7
[M+K]+ 362.04974 167.7
[M+H-H2O]+ 306.08384 162.8
[M+HCOO]- 368.08478 185.0
[M+CH3COO]- 382.10043 193.6
[M+Na-2H]- 344.06125 170.7
[M]+ 323.08603 165.1
[M]- 323.08713 165.1
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.