CID 16205154

Einecs 286-929-4

Structural Information

Molecular Formula
C17H17N4S
SMILES
C[N+]1=C(SC=C1)N=NC2=CC=C(C=C2)N(C)C3=CC=CC=C3
InChI
InChI=1S/C17H17N4S/c1-20-12-13-22-17(20)19-18-14-8-10-16(11-9-14)21(2)15-6-4-3-5-7-15/h3-13H,1-2H3/q+1
InChIKey
SNCPMCKMUWEEAN-UHFFFAOYSA-N
Compound name
N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

309.1174 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12468 166.9
[M+Na]+ 332.10662 182.6
[M+NH4]+ 327.15122 177.6
[M+K]+ 348.08056 174.4
[M-H]- 308.11012 177.7
[M+Na-2H]- 330.09207 180.2
[M]+ 309.11685 173.1
[M]- 309.11795 173.1
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