CID 15259336

4,11-dimethoxy-1h-naphtho[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]+ 308.09175 167.7
[M+Na]+ 330.07369 180.0
[M-H]- 306.07719 172.9
[M+NH4]+ 325.11829 186.1
[M+K]+ 346.04763 174.4
[M+H-H2O]+ 290.08173 160.7
[M+HCOO]- 352.08267 187.3
[M+CH3COO]- 366.09832 180.3
[M+Na-2H]- 328.05914 172.9
[M]+ 307.08392 173.0
[M]- 307.08502 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.