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 187.2
[M+Na]+ 402.08828 202.4
[M+NH4]+ 397.13288 196.0
[M+K]+ 418.06222 193.4
[M-H]- 378.09178 193.7
[M+Na-2H]- 400.07373 195.6
[M]+ 379.09851 191.8
[M]- 379.09961 191.8
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