CID 5276289

2-hydroxy-5-methyl-n-(methyl[?]yl)benzamide

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CC1=CC(=C(C=C1)O)C(=O)N[C@@H]2CCC34CCC3N(C4C2)C
InChI
InChI=1S/C18H24N2O2/c1-11-3-4-14(21)13(9-11)17(22)19-12-5-7-18-8-6-15(18)20(2)16(18)10-12/h3-4,9,12,15-16,21H,5-8,10H2,1-2H3,(H,19,22)/t12-,15?,16?,18?/m1/s1
InChIKey
OOLNGDACWOSYHE-FRZIZRATSA-N
Compound name
2-hydroxy-5-methyl-N-[(8R)-5-methyl-5-azatricyclo[4.4.0.01,4]decan-8-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.18378 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 172.2
[M+Na]+ 323.17300 175.0
[M-H]- 299.17650 177.1
[M+NH4]+ 318.21760 175.5
[M+K]+ 339.14694 177.4
[M+H-H2O]+ 283.18104 155.2
[M+HCOO]- 345.18198 183.8
[M+CH3COO]- 359.19763 216.8
[M+Na-2H]- 321.15845 173.0
[M]+ 300.18323 185.4
[M]- 300.18433 185.4
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.