CID 494303

Nsc376253

Structural Information

Molecular Formula
C23H27NO7
SMILES
CC(C)OC1=C(C=C(C=C1)C2C(C3=CC(=C(C=C3C(=O)N2C)OC)OC)C(=O)O)OC
InChI
InChI=1S/C23H27NO7/c1-12(2)31-16-8-7-13(9-17(16)28-4)21-20(23(26)27)14-10-18(29-5)19(30-6)11-15(14)22(25)24(21)3/h7-12,20-21H,1-6H3,(H,26,27)
InChIKey
BHFCGKVIJBLYJA-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-3-(3-methoxy-4-propan-2-yloxyphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.17874 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.18602 199.9
[M+Na]+ 452.16796 207.1
[M-H]- 428.17146 205.1
[M+NH4]+ 447.21256 208.9
[M+K]+ 468.14190 205.4
[M+H-H2O]+ 412.17600 190.6
[M+HCOO]- 474.17694 214.4
[M+CH3COO]- 488.19259 232.9
[M+Na-2H]- 450.15341 196.8
[M]+ 429.17819 207.1
[M]- 429.17929 207.1
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.