CID 169501956

Nitrofurantoin glucuoronide

Structural Information

Molecular Formula
C14H16N4O9
SMILES
C1C(=O)NC(=O)N1/N=C\C2=CC=C(O2)NC3C(C(C(C(O3)C(=O)O)O)O)O
InChI
InChI=1S/C14H16N4O9/c19-6-4-18(14(25)16-6)15-3-5-1-2-7(26-5)17-12-10(22)8(20)9(21)11(27-12)13(23)24/h1-3,8-12,17,20-22H,4H2,(H,23,24)(H,16,19,25)/b15-3-
InChIKey
KNYFUSHVMUWLKQ-CQPUUCJISA-N
Compound name
6-[[5-[(Z)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]furan-2-yl]amino]-3,4,5-trihydroxyoxane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.09174 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.09902 184.8
[M+Na]+ 407.08096 188.3
[M+NH4]+ 402.12556 184.8
[M+K]+ 423.05490 194.3
[M-H]- 383.08446 185.1
[M+Na-2H]- 405.06641 181.4
[M]+ 384.09119 184.1
[M]- 384.09229 184.1
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.