CID 35680

Benzoic acid, m-chloro-, 2-(3,6-dihydro-2,2,6,6-tetramethyl-1(2h)-pyridyl)ethyl ester

Structural Information

Molecular Formula
C18H24ClNO2
SMILES
CC1(CC=CC(N1CCC2=C(C=CC=C2Cl)C(=O)O)(C)C)C
InChI
InChI=1S/C18H24ClNO2/c1-17(2)10-6-11-18(3,4)20(17)12-9-13-14(16(21)22)7-5-8-15(13)19/h5-8,10H,9,11-12H2,1-4H3,(H,21,22)
InChIKey
IMMOCISJLDODTN-UHFFFAOYSA-N
Compound name
3-chloro-2-[2-(2,2,6,6-tetramethyl-3H-pyridin-1-yl)ethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.14957 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15685 173.9
[M+Na]+ 344.13879 187.7
[M+NH4]+ 339.18339 184.2
[M+K]+ 360.11273 176.5
[M-H]- 320.14229 176.9
[M+Na-2H]- 342.12424 182.8
[M]+ 321.14902 177.4
[M]- 321.15012 177.4
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.