CID 452236

Mepyridyl-azddu i

Structural Information

Molecular Formula
C16H17N6O5
SMILES
C[N+]1=CC=CC(=C1)C(=O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=CC(=O)NC3=O)N=[N+]=[N-]
InChI
InChI=1S/C16H16N6O5/c1-21-5-2-3-10(8-21)15(24)26-9-12-11(19-20-17)7-14(27-12)22-6-4-13(23)18-16(22)25/h2-6,8,11-12,14H,7,9H2,1H3/p+1/t11-,12+,14+/m0/s1
InChIKey
BSBQLCBWQVSSSF-OUCADQQQSA-O
Compound name
[(2S,3S,5R)-3-azido-5-(2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 1-methylpyridin-1-ium-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.12604 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.13332 186.6
[M+Na]+ 396.11526 192.3
[M-H]- 372.11876 195.2
[M+NH4]+ 391.15986 193.2
[M+K]+ 412.08920 178.9
[M+H-H2O]+ 356.12330 182.1
[M+HCOO]- 418.12424 209.0
[M+CH3COO]- 432.13989 207.4
[M+Na-2H]- 394.10071 195.1
[M]+ 373.12549 183.6
[M]- 373.12659 183.6
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.