CID 3055233

1-hydroxyethyl 5-(4-chlorophenoxy)picolinate ester with pivalic acid

Structural Information

Molecular Formula
C19H20ClNO5
SMILES
CC(OC(=O)C1=NC=C(C=C1)OC2=CC=C(C=C2)Cl)OC(=O)C(C)(C)C
InChI
InChI=1S/C19H20ClNO5/c1-12(25-18(23)19(2,3)4)24-17(22)16-10-9-15(11-21-16)26-14-7-5-13(20)6-8-14/h5-12H,1-4H3
InChIKey
LIKNKTPHRMEWCX-UHFFFAOYSA-N
Compound name
1-(2,2-dimethylpropanoyloxy)ethyl 5-(4-chlorophenoxy)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.103 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.11028 183.8
[M+Na]+ 400.09222 190.6
[M-H]- 376.09572 189.3
[M+NH4]+ 395.13682 195.1
[M+K]+ 416.06616 187.9
[M+H-H2O]+ 360.10026 175.9
[M+HCOO]- 422.10120 197.6
[M+CH3COO]- 436.11685 215.1
[M+Na-2H]- 398.07767 185.4
[M]+ 377.10245 191.5
[M]- 377.10355 191.5
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.