CID 117075

71215-84-4

Structural Information

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

2D Structure

compound 2d structure
2
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 187.6
[M+Na]+ 408.15905 201.4
[M+NH4]+ 403.20365 196.3
[M+K]+ 424.13299 194.7
[M-H]- 384.16255 195.3
[M+Na-2H]- 406.14450 196.2
[M]+ 385.16928 192.5
[M]- 385.17038 192.5
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.