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

5
Patents

379.09906 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.10634 186.1
[M+Na]+ 402.08828 197.0
[M-H]- 378.09178 195.8
[M+NH4]+ 397.13288 201.6
[M+K]+ 418.06222 191.9
[M+H-H2O]+ 362.09632 177.4
[M+HCOO]- 424.09726 208.1
[M+CH3COO]- 438.11291 198.1
[M+Na-2H]- 400.07373 191.5
[M]+ 379.09851 195.8
[M]- 379.09961 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