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]+ 343.12233 177.0
[M+Na]+ 365.10427 185.8
[M-H]- 341.10777 186.9
[M+NH4]+ 360.14887 193.2
[M+K]+ 381.07821 182.2
[M+H-H2O]+ 325.11231 167.9
[M+HCOO]- 387.11325 201.6
[M+CH3COO]- 401.12890 221.2
[M+Na-2H]- 363.08972 182.1
[M]+ 342.11450 185.3
[M]- 342.11560 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.