CID 91950

Phenol, 2-(2-benzothiazolylazo)-5-(diethylamino)-

Structural Information

Molecular Formula
C17H18N4OS
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=NC3=CC=CC=C3S2)O
InChI
InChI=1S/C17H18N4OS/c1-3-21(4-2)12-9-10-13(15(22)11-12)19-20-17-18-14-7-5-6-8-16(14)23-17/h5-11,22H,3-4H2,1-2H3
InChIKey
ZBJKHKZRHLGTPR-UHFFFAOYSA-N
Compound name
2-(1,3-benzothiazol-2-yldiazenyl)-5-(diethylamino)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

326.12012 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.12740 174.5
[M+Na]+ 349.10934 187.4
[M+NH4]+ 344.15394 183.3
[M+K]+ 365.08328 179.2
[M-H]- 325.11284 181.2
[M+Na-2H]- 347.09479 183.5
[M]+ 326.11957 178.7
[M]- 326.12067 178.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.