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

3021
Patents

316.17868 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.18596 175.3
[M+Na]+ 339.16790 179.5
[M-H]- 315.17140 178.5
[M+NH4]+ 334.21250 190.4
[M+K]+ 355.14184 174.2
[M+H-H2O]+ 299.17594 167.4
[M+HCOO]- 361.17688 187.3
[M+CH3COO]- 375.19253 183.7
[M+Na-2H]- 337.15335 172.4
[M]+ 316.17813 169.6
[M]- 316.17923 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.