CID 160741

2,7-naphthalenedisulfonic acid, 3-(2-(4-(acetylamino)phenyl)diazenyl)-4,5-dihydroxy-, sodium salt (1:2)

Structural Information

Molecular Formula
C18H15N3O9S2
SMILES
CC(=O)NC1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)O)O
InChI
InChI=1S/C18H15N3O9S2/c1-9(22)19-11-2-4-12(5-3-11)20-21-17-15(32(28,29)30)7-10-6-13(31(25,26)27)8-14(23)16(10)18(17)24/h2-8,23-24H,1H3,(H,19,22)(H,25,26,27)(H,28,29,30)
InChIKey
ISEIKYNRVBWLLR-UHFFFAOYSA-N
Compound name
3-[(4-acetamidophenyl)diazenyl]-4,5-dihydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

481.02496 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.03224 201.0
[M+Na]+ 504.01418 206.1
[M-H]- 480.01768 204.7
[M+NH4]+ 499.05878 206.6
[M+K]+ 519.98812 202.1
[M+H-H2O]+ 464.02222 192.9
[M+HCOO]- 526.02316 210.7
[M+CH3COO]- 540.03881 235.2
[M+Na-2H]- 501.99963 208.9
[M]+ 481.02441 206.0
[M]- 481.02551 206.0
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