CID 387987

Nsc682353

Structural Information

Molecular Formula
C24H23NO5
SMILES
CN1C(=O)C2=CC=CC=C2C(C1(C3=CC=C(C=C3)OC)O)(C4=CC=C(C=C4)OC)O
InChI
InChI=1S/C24H23NO5/c1-25-22(26)20-6-4-5-7-21(20)23(27,16-8-12-18(29-2)13-9-16)24(25,28)17-10-14-19(30-3)15-11-17/h4-15,27-28H,1-3H3
InChIKey
PAGDRAMRAMMAND-UHFFFAOYSA-N
Compound name
3,4-dihydroxy-3,4-bis(4-methoxyphenyl)-2-methylisoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.15762 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.16490 198.1
[M+Na]+ 428.14684 207.1
[M-H]- 404.15034 205.5
[M+NH4]+ 423.19144 210.9
[M+K]+ 444.12078 202.3
[M+H-H2O]+ 388.15488 187.6
[M+HCOO]- 450.15582 213.6
[M+CH3COO]- 464.17147 207.4
[M+Na-2H]- 426.13229 201.7
[M]+ 405.15707 200.2
[M]- 405.15817 200.2
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.