CID 14008826

26460-20-8

Structural Information

Molecular Formula
C24H20Cl2N4O2S
SMILES
CCN(CCOC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)N=NC3=NC4=CC(=C(C=C4S3)Cl)Cl
InChI
InChI=1S/C24H20Cl2N4O2S/c1-2-30(12-13-32-23(31)16-6-4-3-5-7-16)18-10-8-17(9-11-18)28-29-24-27-21-14-19(25)20(26)15-22(21)33-24/h3-11,14-15H,2,12-13H2,1H3
InChIKey
SQBROOWKAVHGKX-UHFFFAOYSA-N
Compound name
2-[4-[(5,6-dichloro-1,3-benzothiazol-2-yl)diazenyl]-N-ethylanilino]ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.0684 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.07568 218.5
[M+Na]+ 521.05762 227.5
[M-H]- 497.06112 231.3
[M+NH4]+ 516.10222 229.9
[M+K]+ 537.03156 221.0
[M+H-H2O]+ 481.06566 208.7
[M+HCOO]- 543.06660 232.8
[M+CH3COO]- 557.08225 228.0
[M+Na-2H]- 519.04307 219.7
[M]+ 498.06785 231.1
[M]- 498.06895 231.1
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.