CID 80939

6467-83-0

Structural Information

Molecular Formula
C20H17N3O3S
SMILES
CCOC1=CC2=C(C=C1)N=C(S2)N=NC3=C(C4=CC=CC=C4C(=C3)OC)O
InChI
InChI=1S/C20H17N3O3S/c1-3-26-12-8-9-15-18(10-12)27-20(21-15)23-22-16-11-17(25-2)13-6-4-5-7-14(13)19(16)24/h4-11,24H,3H2,1-2H3
InChIKey
UZTWSMPIQRWVPJ-UHFFFAOYSA-N
Compound name
2-[(6-ethoxy-1,3-benzothiazol-2-yl)diazenyl]-4-methoxynaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

379.09906 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.106336 186.1
[M+Na]+ 402.088278 197.0
[M-H]- 378.091784 195.8
[M+NH4]+ 397.132883 201.6
[M+K]+ 418.062218 191.9
[M+H-H2O]+ 362.096320 177.4
[M+HCOO]- 424.097261 208.1
[M+CH3COO]- 438.112911 198.1
[M+Na-2H]- 400.073726 191.5
[M]+ 379.09851142 195.8
[M]- 379.09960858 195.8
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