CID 40018

Carbazochrome sodium sulfonate hydrate

Structural Information

Molecular Formula
C10H12N4O5S
SMILES
CN1C(CC2=CC(=C(C=C21)O)N=NC(=O)N)S(=O)(=O)O
InChI
InChI=1S/C10H12N4O5S/c1-14-7-4-8(15)6(12-13-10(11)16)2-5(7)3-9(14)20(17,18)19/h2,4,9,15H,3H2,1H3,(H2,11,16)(H,17,18,19)
InChIKey
OQVRCWUMFBNYKF-UHFFFAOYSA-N
Compound name
5-(carbamoyldiazenyl)-6-hydroxy-1-methyl-2,3-dihydroindole-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

115
References

5407
Patents

300.05283 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.06011 163.6
[M+Na]+ 323.04205 169.6
[M+NH4]+ 318.08665 167.8
[M+K]+ 339.01599 168.2
[M-H]- 299.04555 162.5
[M+Na-2H]- 321.02750 164.5
[M]+ 300.05228 163.9
[M]- 300.05338 163.9
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

patents stripe