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 181.4
[M+Na]+ 379.11992 189.7
[M-H]- 355.12342 191.0
[M+NH4]+ 374.16452 197.0
[M+K]+ 395.09386 185.9
[M+H-H2O]+ 339.12796 172.1
[M+HCOO]- 401.12890 205.6
[M+CH3COO]- 415.14455 224.1
[M+Na-2H]- 377.10537 186.0
[M]+ 356.13015 189.9
[M]- 356.13125 189.9
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