CID 71995

Moxadolen

Structural Information

Molecular Formula
C11H13NO4
SMILES
CNC(=O)O[C@H]1[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)O1)C=C3
InChI
InChI=1S/C11H13NO4/c1-12-11(14)16-10-8-6-3-2-5(4-6)7(8)9(13)15-10/h2-3,5-8,10H,4H2,1H3,(H,12,14)/t5-,6+,7+,8-,10+/m1/s1
InChIKey
ZMXUEEVRCMPQPF-UTABRTIASA-N
Compound name
[(1R,2R,3S,6S,7S)-5-oxo-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-yl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

21
Patents

223.08446 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.091736 147.8
[M+Na]+ 246.073678 155.7
[M-H]- 222.077184 152.9
[M+NH4]+ 241.118283 172.5
[M+K]+ 262.047618 155.2
[M+H-H2O]+ 206.081720 145.2
[M+HCOO]- 268.082661 169.1
[M+CH3COO]- 282.098311 190.3
[M+Na-2H]- 244.059126 150.2
[M]+ 223.08391142 150.5
[M]- 223.08500858 150.5
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.