CID 165366810

3-((4-acetamido-2-sulfophenyl)diazenyl)-4,5-dihydroxy-6-((4-nitro-2-sulfophenyl)diazenyl)naphthalene-2,7-disulfonic acid

Structural Information

Molecular Formula
C24H18N6O17S4
SMILES
CC(=O)NC1=CC(=C(C=C1)N=NC2=C(C=C3C=C(C(=C(C3=C2O)O)N=NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C24H18N6O17S4/c1-10(31)25-12-2-4-14(16(8-12)48(36,37)38)26-28-21-18(50(42,43)44)6-11-7-19(51(45,46)47)22(24(33)20(11)23(21)32)29-27-15-5-3-13(30(34)35)9-17(15)49(39,40)41/h2-9,32-33H,1H3,(H,25,31)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)
InChIKey
JYLVOZRCFQZJNB-UHFFFAOYSA-N
Compound name
3-[(4-acetamido-2-sulfophenyl)diazenyl]-4,5-dihydroxy-6-[(4-nitro-2-sulfophenyl)diazenyl]naphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

789.9611 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 790.96838 230.9
[M+Na]+ 812.95032 238.2
[M+NH4]+ 807.99492 236.2
[M+K]+ 828.92426 236.4
[M-H]- 788.95382 230.2
[M+Na-2H]- 810.93577 260.8
[M]+ 789.96055 234.3
[M]- 789.96165 234.3
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.