CID 14271878

113994-45-9

Structural Information

Molecular Formula
C20H20ClNO7
SMILES
CCOC(=O)C1=C(C(=C(N=C1COCC(=O)O)C)C(=O)OC)C2=CC=CC=C2Cl
InChI
InChI=1S/C20H20ClNO7/c1-4-29-20(26)18-14(9-28-10-15(23)24)22-11(2)16(19(25)27-3)17(18)12-7-5-6-8-13(12)21/h5-8H,4,9-10H2,1-3H3,(H,23,24)
InChIKey
WYLSEDHKQJBUIA-UHFFFAOYSA-N
Compound name
2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-5-methoxycarbonyl-6-methylpyridin-2-yl]methoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

421.09283 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.10011 193.6
[M+Na]+ 444.08205 205.8
[M+NH4]+ 439.12665 197.0
[M+K]+ 460.05599 201.5
[M-H]- 420.08555 193.6
[M+Na-2H]- 442.06750 197.3
[M]+ 421.09228 195.3
[M]- 421.09338 195.3
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

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