CID 15259336

4,11-dimethoxynaphtho(2,3-f)indole-5,10-dione

Structural Information

Molecular Formula
C18H13NO4
SMILES
COC1=C2C(=C(C3=C1C=CN3)OC)C(=O)C4=CC=CC=C4C2=O
InChI
InChI=1S/C18H13NO4/c1-22-17-11-7-8-19-14(11)18(23-2)13-12(17)15(20)9-5-3-4-6-10(9)16(13)21/h3-8,19H,1-2H3
InChIKey
FPAIXTBQZHRAST-UHFFFAOYSA-N
Compound name
4,11-dimethoxy-1H-naphtho[2,3-f]indole-5,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

307.08447 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.091746 167.7
[M+Na]+ 330.073688 180.0
[M-H]- 306.077194 172.9
[M+NH4]+ 325.118293 186.1
[M+K]+ 346.047628 174.4
[M+H-H2O]+ 290.081730 160.7
[M+HCOO]- 352.082671 187.3
[M+CH3COO]- 366.098321 180.3
[M+Na-2H]- 328.059136 172.9
[M]+ 307.08392142 173.0
[M]- 307.08501858 173.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.