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]+ 294.171306 167.2
[M+Na]+ 316.153248 175.0
[M-H]- 292.156754 175.3
[M+NH4]+ 311.197853 183.1
[M+K]+ 332.127188 170.7
[M+H-H2O]+ 276.161290 156.7
[M+HCOO]- 338.162231 195.3
[M+CH3COO]- 352.177881 179.4
[M+Na-2H]- 314.138696 175.1
[M]+ 293.16348142 170.4
[M]- 293.16457858 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.