CID 113372

Einecs 264-351-3

Structural Information

Molecular Formula
C17H19N5
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=NNC3=CC=CC=C32
InChI
InChI=1S/C17H19N5/c1-3-22(4-2)14-11-9-13(10-12-14)18-20-17-15-7-5-6-8-16(15)19-21-17/h5-12H,3-4H2,1-2H3,(H,19,21)
InChIKey
FKJXEQVPDULPEI-UHFFFAOYSA-N
Compound name
N,N-diethyl-4-(1H-indazol-3-yldiazenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.16403 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.17131 167.2
[M+Na]+ 316.15325 175.0
[M-H]- 292.15675 175.3
[M+NH4]+ 311.19785 183.1
[M+K]+ 332.12719 170.7
[M+H-H2O]+ 276.16129 156.7
[M+HCOO]- 338.16223 195.3
[M+CH3COO]- 352.17788 179.4
[M+Na-2H]- 314.13870 175.1
[M]+ 293.16348 170.4
[M]- 293.16458 170.4
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

No patent data available for this compound.