CID 376979

Nsc658200

Structural Information

Molecular Formula
C19H13NO6
SMILES
CC(=O)OC1=CC2=C(C=C1)C3=C(N2)C4=C(C=C(C=C4)OC(=O)C)OC3=O
InChI
InChI=1S/C19H13NO6/c1-9(21)24-11-3-5-13-15(7-11)20-18-14-6-4-12(25-10(2)22)8-16(14)26-19(23)17(13)18/h3-8,20H,1-2H3
InChIKey
VTGBWPLTASCOOP-UHFFFAOYSA-N
Compound name
(3-acetyloxy-6-oxo-11H-chromeno[4,3-b]indol-9-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.07428 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.08156 176.6
[M+Na]+ 374.06350 188.8
[M-H]- 350.06700 182.9
[M+NH4]+ 369.10810 191.4
[M+K]+ 390.03744 185.9
[M+H-H2O]+ 334.07154 169.3
[M+HCOO]- 396.07248 196.2
[M+CH3COO]- 410.08813 189.0
[M+Na-2H]- 372.04895 182.3
[M]+ 351.07373 186.0
[M]- 351.07483 186.0
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.