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

6347
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 161.5
[M+Na]+ 323.04205 169.8
[M-H]- 299.04555 165.0
[M+NH4]+ 318.08665 177.6
[M+K]+ 339.01599 167.5
[M+H-H2O]+ 283.05009 155.5
[M+HCOO]- 345.05103 179.6
[M+CH3COO]- 359.06668 205.8
[M+Na-2H]- 321.02750 165.1
[M]+ 300.05228 164.1
[M]- 300.05338 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