CID 146678032

Ns00122589

Structural Information

Molecular Formula
C16H10N2O8S2
SMILES
C1=CC2=C(C=C1S(=O)(=O)O)C(=O)C(N2)C3=NC4=C(C3=O)C=C(C=C4)S(=O)(=O)O
InChI
InChI=1S/C16H10N2O8S2/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14/h1-6,13,17H,(H,21,22,23)(H,24,25,26)
InChIKey
JNWVIISDWNCOCN-UHFFFAOYSA-N
Compound name
3-oxo-2-(3-oxo-5-sulfo-1,2-dihydroindol-2-yl)indole-5-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.98785 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.995126 195.1
[M+Na]+ 444.977068 205.7
[M-H]- 420.980574 198.5
[M+NH4]+ 440.021673 206.7
[M+K]+ 460.951008 200.7
[M+H-H2O]+ 404.985110 192.6
[M+HCOO]- 466.986051 200.8
[M+CH3COO]- 481.001701 212.3
[M+Na-2H]- 442.962516 198.4
[M]+ 421.98730142 201.1
[M]- 421.98839858 201.1
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.