CID 74308

2,7-naphthalenedisulfonic acid, 3-(2-(4-aminophenyl)diazenyl)-4,5-dihydroxy-

Structural Information

Molecular Formula
C16H13N3O8S2
SMILES
C1=CC(=CC=C1N)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)O)O
InChI
InChI=1S/C16H13N3O8S2/c17-9-1-3-10(4-2-9)18-19-15-13(29(25,26)27)6-8-5-11(28(22,23)24)7-12(20)14(8)16(15)21/h1-7,20-21H,17H2,(H,22,23,24)(H,25,26,27)
InChIKey
IWOSIGNANKUKIQ-UHFFFAOYSA-N
Compound name
3-[(4-aminophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

577
Patents

439.0144 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.02168 191.8
[M+Na]+ 462.00362 198.5
[M-H]- 438.00712 195.4
[M+NH4]+ 457.04822 199.3
[M+K]+ 477.97756 193.4
[M+H-H2O]+ 422.01166 184.1
[M+HCOO]- 484.01260 202.2
[M+CH3COO]- 498.02825 227.0
[M+Na-2H]- 459.98907 199.7
[M]+ 439.01385 195.2
[M]- 439.01495 195.2
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