CID 37731

Nsc 288751

Structural Information

Molecular Formula
C21H23NO5
SMILES
CN1C(=O)C=C2C=C(C(=CC2=C1CC3=CC(=C(C=C3)OC)OC)OC)OC
InChI
InChI=1S/C21H23NO5/c1-22-16(8-13-6-7-17(24-2)18(9-13)25-3)15-12-20(27-5)19(26-4)10-14(15)11-21(22)23/h6-7,9-12H,8H2,1-5H3
InChIKey
SYIZTIWFQDKBQF-UHFFFAOYSA-N
Compound name
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methylisoquinolin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

369.15762 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.16490 187.7
[M+Na]+ 392.14684 204.2
[M+NH4]+ 387.19144 194.5
[M+K]+ 408.12078 196.4
[M-H]- 368.15034 191.8
[M+Na-2H]- 390.13229 194.6
[M]+ 369.15707 191.4
[M]- 369.15817 191.4
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