CID 335586

74014-09-8

Structural Information

Molecular Formula
C17H15NO6
SMILES
COC1=C(C2=C(N1CCO)C(=O)C3=CC=CC=C3C2=O)C(=O)OC
InChI
InChI=1S/C17H15NO6/c1-23-16-12(17(22)24-2)11-13(18(16)7-8-19)15(21)10-6-4-3-5-9(10)14(11)20/h3-6,19H,7-8H2,1-2H3
InChIKey
DOLDDUXZZLTLLO-UHFFFAOYSA-N
Compound name
methyl 1-(2-hydroxyethyl)-2-methoxy-4,9-dioxobenzo[f]indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.08994 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09722 171.6
[M+Na]+ 352.07916 181.7
[M-H]- 328.08266 175.3
[M+NH4]+ 347.12376 187.9
[M+K]+ 368.05310 178.5
[M+H-H2O]+ 312.08720 165.2
[M+HCOO]- 374.08814 190.0
[M+CH3COO]- 388.10379 208.9
[M+Na-2H]- 350.06461 173.1
[M]+ 329.08939 178.0
[M]- 329.09049 178.0
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.