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

122
Patents

309.1001 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.107376 170.4
[M+Na]+ 332.089318 179.4
[M-H]- 308.092824 176.0
[M+NH4]+ 327.133923 184.1
[M+K]+ 348.063258 175.4
[M+H-H2O]+ 292.097360 161.5
[M+HCOO]- 354.098301 190.1
[M+CH3COO]- 368.113951 204.4
[M+Na-2H]- 330.074766 175.0
[M]+ 309.09955142 174.0
[M]- 309.10064858 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