CID 4380615

6-hexyl-4-(2-thiazolylazo)resorcinol

Structural Information

Molecular Formula
C15H19N3O2S
SMILES
CCCCCCC1=CC(=C(C=C1O)O)N=NC2=NC=CS2
InChI
InChI=1S/C15H19N3O2S/c1-2-3-4-5-6-11-9-12(14(20)10-13(11)19)17-18-15-16-7-8-21-15/h7-10,19-20H,2-6H2,1H3
InChIKey
JXWXHRNDQDRGGP-UHFFFAOYSA-N
Compound name
4-hexyl-6-(1,3-thiazol-2-yldiazenyl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1198 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.12708 169.5
[M+Na]+ 328.10902 177.1
[M-H]- 304.11252 175.4
[M+NH4]+ 323.15362 185.3
[M+K]+ 344.08296 172.4
[M+H-H2O]+ 288.11706 161.3
[M+HCOO]- 350.11800 190.5
[M+CH3COO]- 364.13365 207.1
[M+Na-2H]- 326.09447 170.8
[M]+ 305.11925 174.3
[M]- 305.12035 174.3
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.