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
2
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]+ 276.140336 162.1
[M+Na]+ 298.122278 169.5
[M-H]- 274.125784 172.2
[M+NH4]+ 293.166883 180.4
[M+K]+ 314.096218 161.6
[M+H-H2O]+ 258.130320 155.6
[M+HCOO]- 320.131261 187.1
[M+CH3COO]- 334.146911 205.5
[M+Na-2H]- 296.107726 167.4
[M]+ 275.13251142 166.0
[M]- 275.13360858 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