CID 91950

2-((4-(diethylamino)-2-hydroxyphenyl)azo)benzothiazole

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 174.1
[M+Na]+ 349.10934 183.1
[M-H]- 325.11284 183.9
[M+NH4]+ 344.15394 191.0
[M+K]+ 365.08328 178.9
[M+H-H2O]+ 309.11738 165.1
[M+HCOO]- 371.11832 198.5
[M+CH3COO]- 385.13397 186.6
[M+Na-2H]- 347.09479 178.9
[M]+ 326.11957 181.0
[M]- 326.12067 181.0
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.