CID 104065

52048-31-4

Structural Information

Molecular Formula

C₁₃H₁₆N₄S

SMILES

CCN(CC)C1=CC=C(C=C1)N=NC2=NC=CS2

InChI

InChI=1S/C13H16N4S/c1-3-17(4-2)12-7-5-11(6-8-12)15-16-13-14-9-10-18-13/h5-10H,3-4H2,1-2H3

InChIKey

CPQZFVALGRYOJM-UHFFFAOYSA-N

Compound name

N,N-diethyl-4-(1,3-thiazol-2-yldiazenyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 260.10956 Da
Monoisotopic Mass: 3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	261.11684	159.1
[M+Na]+	283.09878	170.3
[M+NH4]+	278.14338	168.2
[M+K]+	299.07272	162.5
[M-H]-	259.10228	165.5
[M+Na-2H]-	281.08423	168.2
[M]+	260.10901	162.9
[M]-	260.11011	162.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe