CID 106525

68083-97-6

Structural Information

Molecular Formula
C17H18N4O2S
SMILES
CN(CCO)C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)OC
InChI
InChI=1S/C17H18N4O2S/c1-21(9-10-22)13-5-3-12(4-6-13)19-20-17-18-15-8-7-14(23-2)11-16(15)24-17/h3-8,11,22H,9-10H2,1-2H3
InChIKey
UKNRIBNPUUGUBM-UHFFFAOYSA-N
Compound name
2-[4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]-N-methylanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.11505 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.122326 177.0
[M+Na]+ 365.104268 185.8
[M-H]- 341.107774 186.9
[M+NH4]+ 360.148873 193.2
[M+K]+ 381.078208 182.2
[M+H-H2O]+ 325.112310 167.9
[M+HCOO]- 387.113251 201.6
[M+CH3COO]- 401.128901 221.2
[M+Na-2H]- 363.089716 182.1
[M]+ 342.11450142 185.3
[M]- 342.11559858 185.3
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.