CID 356489

Nsc612427

Structural Information

Molecular Formula
C30H32N2O10
SMILES
CN1C2=CC=CC=C2C(C1=O)(C3=C(C(=C(C(=C3OCOC)OC)C4(C5=CC=CC=C5N(C4=O)C)O)OCOC)OC)O
InChI
InChI=1S/C30H32N2O10/c1-31-19-13-9-7-11-17(19)29(35,27(31)33)21-23(39-5)26(42-16-38-4)22(24(40-6)25(21)41-15-37-3)30(36)18-12-8-10-14-20(18)32(2)28(30)34/h7-14,35-36H,15-16H2,1-6H3
InChIKey
SFICRIOMCLWQMH-UHFFFAOYSA-N
Compound name
3-hydroxy-3-[4-(3-hydroxy-1-methyl-2-oxoindol-3-yl)-2,5-dimethoxy-3,6-bis(methoxymethoxy)phenyl]-1-methylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

580.2057 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.21298 231.0
[M+Na]+ 603.19492 239.7
[M-H]- 579.19842 239.2
[M+NH4]+ 598.23952 240.0
[M+K]+ 619.16886 238.2
[M+H-H2O]+ 563.20296 222.7
[M+HCOO]- 625.20390 244.5
[M+CH3COO]- 639.21955 255.1
[M+Na-2H]- 601.18037 228.8
[M]+ 580.20515 244.4
[M]- 580.20625 244.4
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.