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
3
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]+ 357.137976 181.4
[M+Na]+ 379.119918 189.7
[M-H]- 355.123424 191.0
[M+NH4]+ 374.164523 197.0
[M+K]+ 395.093858 185.9
[M+H-H2O]+ 339.127960 172.1
[M+HCOO]- 401.128901 205.6
[M+CH3COO]- 415.144551 224.1
[M+Na-2H]- 377.105366 186.0
[M]+ 356.13015142 189.9
[M]- 356.13124858 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