CID 83009

Dtxsid00860101

Structural Information

Molecular Formula
C19H23N4O2S
SMILES
CCN(CCO)C1=CC=C(C=C1)N=NC2=[N+](C3=C(S2)C=C(C=C3)OC)C
InChI
InChI=1S/C19H23N4O2S/c1-4-23(11-12-24)15-7-5-14(6-8-15)20-21-19-22(2)17-10-9-16(25-3)13-18(17)26-19/h5-10,13,24H,4,11-12H2,1-3H3/q+1
InChIKey
ZZJJYUNNNYLVAR-UHFFFAOYSA-N
Compound name
2-[N-ethyl-4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]anilino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

13411
Patents

371.15417 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.16145 183.5
[M+Na]+ 394.14339 197.9
[M+NH4]+ 389.18799 192.5
[M+K]+ 410.11733 190.6
[M-H]- 370.14689 191.4
[M+Na-2H]- 392.12884 192.5
[M]+ 371.15362 188.6
[M]- 371.15472 188.6
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