CID 5276293

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

Structural Information

Molecular Formula
C17H21ClN2O2
SMILES
CN1C2CCC23C1C[C@@H](CC3)NC(=O)C4=C(C=CC(=C4)Cl)O
InChI
InChI=1S/C17H21ClN2O2/c1-20-14-5-7-17(14)6-4-11(9-15(17)20)19-16(22)12-8-10(18)2-3-13(12)21/h2-3,8,11,14-15,21H,4-7,9H2,1H3,(H,19,22)/t11-,14?,15?,17?/m1/s1
InChIKey
RFEJTIQIAJJYDI-YMWDHONGSA-N
Compound name
5-chloro-2-hydroxy-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

320.12915 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13643 167.4
[M+Na]+ 343.11837 171.8
[M-H]- 319.12187 172.1
[M+NH4]+ 338.16297 171.0
[M+K]+ 359.09231 172.7
[M+H-H2O]+ 303.12641 151.6
[M+HCOO]- 365.12735 175.8
[M+CH3COO]- 379.14300 217.3
[M+Na-2H]- 341.10382 169.0
[M]+ 320.12860 182.4
[M]- 320.12970 182.4
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.