CID 376980

Nsc658201

Structural Information

Molecular Formula
C17H13NO4
SMILES
COC1=CC2=C(C=C1)C3=C(N2)C4=C(C=C(C=C4)OC)OC3=O
InChI
InChI=1S/C17H13NO4/c1-20-9-3-5-11-13(7-9)18-16-12-6-4-10(21-2)8-14(12)22-17(19)15(11)16/h3-8,18H,1-2H3
InChIKey
ZBVQCKANIQUEDB-UHFFFAOYSA-N
Compound name
3,9-dimethoxy-11H-chromeno[4,3-b]indol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.08447 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09175 163.1
[M+Na]+ 318.07369 177.1
[M-H]- 294.07719 169.7
[M+NH4]+ 313.11829 180.9
[M+K]+ 334.04763 172.9
[M+H-H2O]+ 278.08173 156.1
[M+HCOO]- 340.08267 184.9
[M+CH3COO]- 354.09832 177.0
[M+Na-2H]- 316.05914 171.8
[M]+ 295.08392 171.9
[M]- 295.08502 171.9
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.