CID 113391

63589-49-1

Structural Information

Molecular Formula
C20H30N5
SMILES
CCN(CC)C1=CC=C(C=C1)N=NC2=CC=[N+](N2C3CCCCC3)C
InChI
InChI=1S/C20H30N5/c1-4-24(5-2)18-13-11-17(12-14-18)21-22-20-15-16-23(3)25(20)19-9-7-6-8-10-19/h11-16,19H,4-10H2,1-3H3/q+1
InChIKey
GOTVMWWALHDGIX-UHFFFAOYSA-N
Compound name
4-[(2-cyclohexyl-1-methylpyrazol-1-ium-3-yl)diazenyl]-N,N-diethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

340.25012 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.25740 185.2
[M+Na]+ 363.23934 188.3
[M-H]- 339.24284 195.4
[M+NH4]+ 358.28394 198.1
[M+K]+ 379.21328 179.7
[M+H-H2O]+ 323.24738 175.8
[M+HCOO]- 385.24832 209.0
[M+CH3COO]- 399.26397 220.3
[M+Na-2H]- 361.22479 188.9
[M]+ 340.24957 183.2
[M]- 340.25067 183.2
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.