CID 97033

Benzenesulfonic acid, 4-(2-(4-(dibutylamino)phenyl)diazenyl)-

Structural Information

Molecular Formula
C20H27N3O3S
SMILES
CCCCN(CCCC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O
InChI
InChI=1S/C20H27N3O3S/c1-3-5-15-23(16-6-4-2)19-11-7-17(8-12-19)21-22-18-9-13-20(14-10-18)27(24,25)26/h7-14H,3-6,15-16H2,1-2H3,(H,24,25,26)
InChIKey
DANYDKIZJCAJNC-UHFFFAOYSA-N
Compound name
4-[[4-(dibutylamino)phenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

389.1773 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.18458 193.4
[M+Na]+ 412.16652 197.9
[M-H]- 388.17002 201.8
[M+NH4]+ 407.21112 205.4
[M+K]+ 428.14046 194.1
[M+H-H2O]+ 372.17456 183.3
[M+HCOO]- 434.17550 214.8
[M+CH3COO]- 448.19115 230.3
[M+Na-2H]- 410.15197 196.5
[M]+ 389.17675 199.7
[M]- 389.17785 199.7
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