CID 172728

Einecs 275-178-8

Structural Information

Molecular Formula
C18H19N4S
SMILES
C[N+]1=C(SC=C1)N=NC2=CC=C(C=C2)N(C)CC3=CC=CC=C3
InChI
InChI=1S/C18H19N4S/c1-21-12-13-23-18(21)20-19-16-8-10-17(11-9-16)22(2)14-15-6-4-3-5-7-15/h3-13H,14H2,1-2H3/q+1
InChIKey
WHOVIFSVXZQOPT-UHFFFAOYSA-N
Compound name
N-benzyl-N-methyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

323.13306 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14034 175.7
[M+Na]+ 346.12228 182.6
[M-H]- 322.12578 188.6
[M+NH4]+ 341.16688 191.4
[M+K]+ 362.09622 173.1
[M+H-H2O]+ 306.13032 167.9
[M+HCOO]- 368.13126 200.7
[M+CH3COO]- 382.14691 213.1
[M+Na-2H]- 344.10773 181.3
[M]+ 323.13251 178.5
[M]- 323.13361 178.5
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

patents stripe