CID 371205

Nsc645255

Structural Information

Molecular Formula
C19H19NO5
SMILES
CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C19H19NO5/c1-20-17(11-7-5-4-6-8-11)16(19(22)23)12-9-14(24-2)15(25-3)10-13(12)18(20)21/h4-10,16-17H,1-3H3,(H,22,23)
InChIKey
FAHLWUDIZRLJRT-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1263 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13358 178.0
[M+Na]+ 364.11552 186.2
[M-H]- 340.11902 183.3
[M+NH4]+ 359.16012 190.5
[M+K]+ 380.08946 182.8
[M+H-H2O]+ 324.12356 169.2
[M+HCOO]- 386.12450 194.7
[M+CH3COO]- 400.14015 212.8
[M+Na-2H]- 362.10097 179.0
[M]+ 341.12575 180.8
[M]- 341.12685 180.8
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.