CID 83571

Sodium p-[[p-(diethylamino)phenyl]azo]benzenesulphonate

Structural Information

Molecular Formula
C16H19N3O3S
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O
InChI
InChI=1S/C16H19N3O3S/c1-3-19(4-2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)23(20,21)22/h5-12H,3-4H2,1-2H3,(H,20,21,22)
InChIKey
OORQUAGUOJMPCS-UHFFFAOYSA-N
Compound name
4-[[4-(diethylamino)phenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

861
Patents

333.11472 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12200 176.0
[M+Na]+ 356.10394 182.4
[M-H]- 332.10744 185.4
[M+NH4]+ 351.14854 190.4
[M+K]+ 372.07788 179.4
[M+H-H2O]+ 316.11198 166.8
[M+HCOO]- 378.11292 198.9
[M+CH3COO]- 392.12857 218.4
[M+Na-2H]- 354.08939 181.0
[M]+ 333.11417 181.0
[M]- 333.11527 181.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe