CID 497505

Chembl111846

Structural Information

Molecular Formula
C17H25NO3
SMILES
C[C@@]1(C[C@H](CC(C1)(C)C)O)CNC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C17H25NO3/c1-16(2)8-12(19)9-17(3,10-16)11-18-15(21)13-6-4-5-7-14(13)20/h4-7,12,19-20H,8-11H2,1-3H3,(H,18,21)/t12-,17-/m0/s1
InChIKey
HRXCLBHABYXFES-SJCJKPOMSA-N
Compound name
2-hydroxy-N-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

291.18344 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.19072 169.0
[M+Na]+ 314.17266 174.3
[M-H]- 290.17616 172.8
[M+NH4]+ 309.21726 187.0
[M+K]+ 330.14660 171.0
[M+H-H2O]+ 274.18070 163.5
[M+HCOO]- 336.18164 185.9
[M+CH3COO]- 350.19729 200.5
[M+Na-2H]- 312.15811 171.3
[M]+ 291.18289 165.5
[M]- 291.18399 165.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.