CID 366739

Nsc635461

Structural Information

Molecular Formula
C20H19NO4
SMILES
COC1=C(C=C2C(=C1)C=CN3C2=CC4=CC(=C(C=C43)OC)OC)OC
InChI
InChI=1S/C20H19NO4/c1-22-17-8-12-5-6-21-15-11-20(25-4)18(23-2)9-13(15)7-16(21)14(12)10-19(17)24-3/h5-11H,1-4H3
InChIKey
XNRNTISMBNPOTJ-UHFFFAOYSA-N
Compound name
2,3,9,10-tetramethoxyindolo[2,1-a]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1314 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.13868 178.7
[M+Na]+ 360.12062 191.8
[M-H]- 336.12412 185.6
[M+NH4]+ 355.16522 196.8
[M+K]+ 376.09456 187.5
[M+H-H2O]+ 320.12866 170.5
[M+HCOO]- 382.12960 201.4
[M+CH3COO]- 396.14525 191.8
[M+Na-2H]- 358.10607 184.8
[M]+ 337.13085 190.5
[M]- 337.13195 190.5
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.