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 171.2
[M+Na]+ 332.10662 178.6
[M-H]- 308.11012 184.3
[M+NH4]+ 327.15122 187.5
[M+K]+ 348.08056 169.3
[M+H-H2O]+ 292.11466 163.7
[M+HCOO]- 354.11560 196.6
[M+CH3COO]- 368.13125 210.1
[M+Na-2H]- 330.09207 177.4
[M]+ 309.11685 173.7
[M]- 309.11795 173.7
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