CID 57348143

136213-74-6

Structural Information

Molecular Formula
C20H25N4O2S
SMILES
CCN(CCO)C1=CC(=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C)C
InChI
InChI=1S/C20H25N4O2S/c1-5-24(10-11-25)15-6-8-17(14(2)12-15)21-22-20-23(3)18-9-7-16(26-4)13-19(18)27-20/h6-9,12-13,25H,5,10-11H2,1-4H3/q+1
InChIKey
BUPIWTQVPGUTOV-UHFFFAOYSA-N
Compound name
2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-3-methylanilino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.16983 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.17711 188.8
[M+Na]+ 408.15905 203.3
[M+NH4]+ 403.20365 197.6
[M+K]+ 424.13299 195.9
[M-H]- 384.16255 196.7
[M+Na-2H]- 406.14450 197.3
[M]+ 385.16928 193.9
[M]- 385.17038 193.9
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

No patent data available for this compound.