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]+ 327.127396 174.1
[M+Na]+ 349.109338 183.1
[M-H]- 325.112844 183.9
[M+NH4]+ 344.153943 191.0
[M+K]+ 365.083278 178.9
[M+H-H2O]+ 309.117380 165.1
[M+HCOO]- 371.118321 198.5
[M+CH3COO]- 385.133971 186.6
[M+Na-2H]- 347.094786 178.9
[M]+ 326.11957142 181.0
[M]- 326.12066858 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.