CID 366192

Nsc634519

Structural Information

Molecular Formula
C19H17NO3
SMILES
COC1=CC2=C(C=C1)C=C3N2C=CC4=CC(=C(C=C43)OC)OC
InChI
InChI=1S/C19H17NO3/c1-21-14-5-4-13-8-17-15-11-19(23-3)18(22-2)9-12(15)6-7-20(17)16(13)10-14/h4-11H,1-3H3
InChIKey
XGZUXDLZTSHJML-UHFFFAOYSA-N
Compound name
2,3,9-trimethoxyindolo[2,1-a]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.12085 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12813 170.6
[M+Na]+ 330.11007 183.6
[M-H]- 306.11357 177.3
[M+NH4]+ 325.15467 189.8
[M+K]+ 346.08401 178.7
[M+H-H2O]+ 290.11811 162.6
[M+HCOO]- 352.11905 193.7
[M+CH3COO]- 366.13470 184.1
[M+Na-2H]- 328.09552 177.8
[M]+ 307.12030 180.2
[M]- 307.12140 180.2
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.