CID 160575

1428-72-4

Structural Information

Molecular Formula
C10H12N4O5S
SMILES
CN1CC(C2=CC(=C(C=C21)O)N=NC(=O)N)S(=O)(=O)O
InChI
InChI=1S/C10H12N4O5S/c1-14-4-9(20(17,18)19)5-2-6(12-13-10(11)16)8(15)3-7(5)14/h2-3,9,15H,4H2,1H3,(H2,11,16)(H,17,18,19)
InChIKey
ITILPLDUDHXKNM-UHFFFAOYSA-N
Compound name
5-(carbamoyldiazenyl)-6-hydroxy-1-methyl-2,3-dihydroindole-3-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.05283 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.060106 161.5
[M+Na]+ 323.042048 169.8
[M-H]- 299.045554 165.0
[M+NH4]+ 318.086653 177.6
[M+K]+ 339.015988 167.5
[M+H-H2O]+ 283.050090 155.5
[M+HCOO]- 345.051031 179.6
[M+CH3COO]- 359.066681 205.8
[M+Na-2H]- 321.027496 165.1
[M]+ 300.05228142 164.1
[M]- 300.05337858 164.1
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

patents stripe