CID 9861730

Atizoram

Structural Information

Molecular Formula
C18H24N2O3
SMILES
COC1=C(C=C(C=C1)C2CNC(=O)NC2)O[C@H]3C[C@@H]4CC[C@H]3C4
InChI
InChI=1S/C18H24N2O3/c1-22-15-5-4-12(14-9-19-18(21)20-10-14)8-17(15)23-16-7-11-2-3-13(16)6-11/h4-5,8,11,13-14,16H,2-3,6-7,9-10H2,1H3,(H2,19,20,21)/t11-,13+,16+/m1/s1
InChIKey
LITNEAPWQHVPOK-FFSVYQOJSA-N
Compound name
5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3031
Patents

316.17868 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.185956 175.3
[M+Na]+ 339.167898 179.5
[M-H]- 315.171404 178.5
[M+NH4]+ 334.212503 190.4
[M+K]+ 355.141838 174.2
[M+H-H2O]+ 299.175940 167.4
[M+HCOO]- 361.176881 187.3
[M+CH3COO]- 375.192531 183.7
[M+Na-2H]- 337.153346 172.4
[M]+ 316.17813142 169.6
[M]- 316.17922858 169.6
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.