CID 71244895

1421312-34-6

Structural Information

Molecular Formula
C18H15NO4
SMILES
CC1=C2C=C(C=CC2=C(C(=N1)C(=O)OC)O)OC3=CC=CC=C3
InChI
InChI=1S/C18H15NO4/c1-11-15-10-13(23-12-6-4-3-5-7-12)8-9-14(15)17(20)16(19-11)18(21)22-2/h3-10,20H,1-2H3
InChIKey
WJGPMRFWBJZJOQ-UHFFFAOYSA-N
Compound name
methyl 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

309.1001 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10738 170.7
[M+Na]+ 332.08932 186.4
[M+NH4]+ 327.13392 178.1
[M+K]+ 348.06326 179.2
[M-H]- 308.09282 174.4
[M+Na-2H]- 330.07477 178.6
[M]+ 309.09955 174.0
[M]- 309.10065 174.0
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