CID 82454

10214-07-0

Structural Information

Molecular Formula
C21H19Cl2N3O3S
SMILES
CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3Cl)S(=O)(=O)O)Cl
InChI
InChI=1S/C21H19Cl2N3O3S/c1-2-26(14-15-6-4-3-5-7-15)17-10-8-16(9-11-17)24-25-20-12-19(23)21(13-18(20)22)30(27,28)29/h3-13H,2,14H2,1H3,(H,27,28,29)
InChIKey
RBSXUHSLINSOEF-UHFFFAOYSA-N
Compound name
4-[[4-[benzyl(ethyl)amino]phenyl]diazenyl]-2,5-dichlorobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

463.05243 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.05971 206.8
[M+Na]+ 486.04165 214.9
[M-H]- 462.04515 218.7
[M+NH4]+ 481.08625 217.4
[M+K]+ 502.01559 208.6
[M+H-H2O]+ 446.04969 198.1
[M+HCOO]- 508.05063 219.8
[M+CH3COO]- 522.06628 238.6
[M+Na-2H]- 484.02710 209.6
[M]+ 463.05188 215.7
[M]- 463.05298 215.7
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

patents stripe