CID 83527

13486-43-6

Structural Information

Molecular Formula
C18H20N4O2S
SMILES
CCN(CCO)C1=CC=C(C=C1)N=NC2=NC3=C(S2)C=C(C=C3)OC
InChI
InChI=1S/C18H20N4O2S/c1-3-22(10-11-23)14-6-4-13(5-7-14)20-21-18-19-16-9-8-15(24-2)12-17(16)25-18/h4-9,12,23H,3,10-11H2,1-2H3
InChIKey
UDACKEZLXLPHBN-UHFFFAOYSA-N
Compound name
2-[N-ethyl-4-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

356.1307 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13798 182.2
[M+Na]+ 379.11992 194.4
[M+NH4]+ 374.16452 190.2
[M+K]+ 395.09386 186.5
[M-H]- 355.12342 188.3
[M+Na-2H]- 377.10537 190.5
[M]+ 356.13015 186.1
[M]- 356.13125 186.1
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

patents stripe