CID 356491

Nsc612429

Structural Information

Molecular Formula
C28H28N2O8
SMILES
CN1C2=CC=CC=C2C(C1=O)(C3=C(C(=C(C(=C3OC)OC)C4(C5=CC=CC=C5N(C4=O)C)O)OC)OC)O
InChI
InChI=1S/C28H28N2O8/c1-29-17-13-9-7-11-15(17)27(33,25(29)31)19-21(35-3)23(37-5)20(24(38-6)22(19)36-4)28(34)16-12-8-10-14-18(16)30(2)26(28)32/h7-14,33-34H,1-6H3
InChIKey
BGWFETQDZAHJTD-UHFFFAOYSA-N
Compound name
3-hydroxy-3-[4-(3-hydroxy-1-methyl-2-oxoindol-3-yl)-2,3,5,6-tetramethoxyphenyl]-1-methylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.1846 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.19188 219.8
[M+Na]+ 543.17382 230.6
[M-H]- 519.17732 228.6
[M+NH4]+ 538.21842 231.8
[M+K]+ 559.14776 227.2
[M+H-H2O]+ 503.18186 212.0
[M+HCOO]- 565.18280 234.0
[M+CH3COO]- 579.19845 245.2
[M+Na-2H]- 541.15927 217.4
[M]+ 520.18405 229.9
[M]- 520.18515 229.9
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.