CID 66835489

1370448-72-8

Structural Information

Molecular Formula
C18H19NO5
SMILES
CC(C)(C)OC(=O)C1=CC=C(C=C1)C2=NC(=CC(=C2)C(=O)O)OC
InChI
InChI=1S/C18H19NO5/c1-18(2,3)24-17(22)12-7-5-11(6-8-12)14-9-13(16(20)21)10-15(19-14)23-4/h5-10H,1-4H3,(H,20,21)
InChIKey
QSMNPQNQLGVTIP-UHFFFAOYSA-N
Compound name
2-methoxy-6-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

329.1263 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.13358 175.2
[M+Na]+ 352.11552 182.4
[M-H]- 328.11902 179.8
[M+NH4]+ 347.16012 187.1
[M+K]+ 368.08946 180.2
[M+H-H2O]+ 312.12356 167.1
[M+HCOO]- 374.12450 193.2
[M+CH3COO]- 388.14015 207.3
[M+Na-2H]- 350.10097 177.5
[M]+ 329.12575 179.4
[M]- 329.12685 179.4
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

patents stripe