CID 73556054

65150-98-3

Structural Information

Molecular Formula
C14H19N4S
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=[N+](C=CS2)C
InChI
InChI=1S/C14H19N4S/c1-4-18(5-2)13-8-6-12(7-9-13)15-16-14-17(3)10-11-19-14/h6-11H,4-5H2,1-3H3/q+1
InChIKey
YBHNXJYJTNHTRZ-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

275.13306 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14034 162.1
[M+Na]+ 298.12228 169.5
[M-H]- 274.12578 172.2
[M+NH4]+ 293.16688 180.4
[M+K]+ 314.09622 161.6
[M+H-H2O]+ 258.13032 155.6
[M+HCOO]- 320.13126 187.1
[M+CH3COO]- 334.14691 205.5
[M+Na-2H]- 296.10773 167.4
[M]+ 275.13251 166.0
[M]- 275.13361 166.0
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