CID 60816

Enazadrem

Structural Information

Molecular Formula
C18H25N3O
SMILES
CC1=C(C(=NC(=N1)NCCCCCCC2=CC=CC=C2)C)O
InChI
InChI=1S/C18H25N3O/c1-14-17(22)15(2)21-18(20-14)19-13-9-4-3-6-10-16-11-7-5-8-12-16/h5,7-8,11-12,22H,3-4,6,9-10,13H2,1-2H3,(H,19,20,21)
InChIKey
NRGYTONERIQIBW-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-(6-phenylhexylamino)pyrimidin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

860
Patents

299.19977 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.20705 174.7
[M+Na]+ 322.18899 181.0
[M-H]- 298.19249 177.0
[M+NH4]+ 317.23359 186.5
[M+K]+ 338.16293 175.3
[M+H-H2O]+ 282.19703 165.0
[M+HCOO]- 344.19797 194.8
[M+CH3COO]- 358.21362 207.2
[M+Na-2H]- 320.17444 178.5
[M]+ 299.19922 176.2
[M]- 299.20032 176.2
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.