CID 135853472

3219-73-6

Structural Information

Molecular Formula
C15H13N3O2S
SMILES
CC1=CC(=C(C=C1)O)N=NC2=NC3=C(S2)C=C(C=C3)OC
InChI
InChI=1S/C15H13N3O2S/c1-9-3-6-13(19)12(7-9)17-18-15-16-11-5-4-10(20-2)8-14(11)21-15/h3-8,19H,1-2H3
InChIKey
XXEIZMNNXCPRNK-UHFFFAOYSA-N
Compound name
2-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

299.07285 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08013 165.1
[M+Na]+ 322.06207 176.7
[M-H]- 298.06557 174.5
[M+NH4]+ 317.10667 183.3
[M+K]+ 338.03601 172.1
[M+H-H2O]+ 282.07011 157.3
[M+HCOO]- 344.07105 189.0
[M+CH3COO]- 358.08670 178.8
[M+Na-2H]- 320.04752 170.3
[M]+ 299.07230 172.7
[M]- 299.07340 172.7
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