CID 111857

68938-69-2

Structural Information

Molecular Formula
C20H13N4O3S
SMILES
C1=CC=C2C(=C1)C(=CC=C2[N+]#N)N=NC3=CC=CC4=C3C=CC=C4S(=O)(=O)O
InChI
InChI=1S/C20H12N4O3S/c21-22-17-11-12-19(14-6-2-1-5-13(14)17)24-23-18-9-3-8-16-15(18)7-4-10-20(16)28(25,26)27/h1-12H/p+1
InChIKey
HWFRHZYWLYXURG-UHFFFAOYSA-O
Compound name
4-[(5-sulfonaphthalen-1-yl)diazenyl]naphthalene-1-diazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.07083 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.07811 188.1
[M+Na]+ 412.06005 204.0
[M+NH4]+ 407.10465 193.8
[M+K]+ 428.03399 191.5
[M-H]- 388.06355 188.9
[M+Na-2H]- 410.04550 196.1
[M]+ 389.07028 190.7
[M]- 389.07138 190.7
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.