CID 356492

Nsc612430

Structural Information

Molecular Formula
C26H22N2O8
SMILES
CN1C2=CC=CC=C2C(C1=O)(C3=C(C(=O)C(=C(C3=O)OC)C4(C5=CC=CC=C5N(C4=O)C)O)OC)O
InChI
InChI=1S/C26H22N2O8/c1-27-15-11-7-5-9-13(15)25(33,23(27)31)17-19(29)22(36-4)18(20(30)21(17)35-3)26(34)14-10-6-8-12-16(14)28(2)24(26)32/h5-12,33-34H,1-4H3
InChIKey
WAYKTKVUBVUBRC-UHFFFAOYSA-N
Compound name
2,5-bis(3-hydroxy-1-methyl-2-oxoindol-3-yl)-3,6-dimethoxycyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.1376 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.14488 210.2
[M+Na]+ 513.12682 221.7
[M-H]- 489.13032 219.0
[M+NH4]+ 508.17142 223.3
[M+K]+ 529.10076 217.5
[M+H-H2O]+ 473.13486 203.1
[M+HCOO]- 535.13580 224.1
[M+CH3COO]- 549.15145 239.1
[M+Na-2H]- 511.11227 208.0
[M]+ 490.13705 217.1
[M]- 490.13815 217.1
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.