CID 5465573

Nsc655185

Structural Information

Molecular Formula
C15H9NO4
SMILES
C1=CC2=C(C=C1O)NC3=C2C(=O)OC4=C3C=CC(=C4)O
InChI
InChI=1S/C15H9NO4/c17-7-1-3-9-11(5-7)16-14-10-4-2-8(18)6-12(10)20-15(19)13(9)14/h1-6,16-18H
InChIKey
BUSSJLNPECLYJI-UHFFFAOYSA-N
Compound name
3,9-dihydroxy-11H-chromeno[4,3-b]indol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.05316 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.06044 153.5
[M+Na]+ 290.04238 167.6
[M-H]- 266.04588 157.9
[M+NH4]+ 285.08698 171.1
[M+K]+ 306.01632 162.3
[M+H-H2O]+ 250.05042 147.6
[M+HCOO]- 312.05136 173.1
[M+CH3COO]- 326.06701 167.1
[M+Na-2H]- 288.02783 162.7
[M]+ 267.05261 158.4
[M]- 267.05371 158.4
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.