CID 117126

71393-88-9

Structural Information

Molecular Formula
C18H14N5O4S
SMILES
CC(=O)NC1=CC=C(C=C1)N=NC2=C3C=C(C=CC3=C(C=C2)[N+]#N)S(=O)(=O)O
InChI
InChI=1S/C18H13N5O4S/c1-11(24)20-12-2-4-13(5-3-12)22-23-18-9-8-17(21-19)15-7-6-14(10-16(15)18)28(25,26)27/h2-10H,1H3,(H-,20,23,24,25,26,27)/p+1
InChIKey
UOKRWMRRPGCGGY-UHFFFAOYSA-O
Compound name
4-[(4-acetamidophenyl)diazenyl]-6-sulfonaphthalene-1-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.07666 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.08394 187.4
[M+Na]+ 419.06588 199.3
[M+NH4]+ 414.11048 190.9
[M+K]+ 435.03982 189.6
[M-H]- 395.06938 186.4
[M+Na-2H]- 417.05133 193.1
[M]+ 396.07611 188.5
[M]- 396.07721 188.5
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.