CID 112432

70615-18-8

Structural Information

Molecular Formula
C18H16N4O4S
SMILES
CC(=O)NC1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=C(C=C2)N)S(=O)(=O)O
InChI
InChI=1S/C18H16N4O4S/c1-11(23)20-12-2-4-13(5-3-12)21-22-18-9-8-17(19)15-7-6-14(10-16(15)18)27(24,25)26/h2-10H,19H2,1H3,(H,20,23)(H,24,25,26)
InChIKey
CJZBVSRAHQYZJI-UHFFFAOYSA-N
Compound name
8-[(4-acetamidophenyl)diazenyl]-5-aminonaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.08923 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.09651 185.0
[M+Na]+ 407.07845 192.0
[M-H]- 383.08195 193.5
[M+NH4]+ 402.12305 196.9
[M+K]+ 423.05239 187.8
[M+H-H2O]+ 367.08649 176.0
[M+HCOO]- 429.08743 205.9
[M+CH3COO]- 443.10308 228.2
[M+Na-2H]- 405.06390 191.3
[M]+ 384.08868 187.5
[M]- 384.08978 187.5
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.