CID 6454338

4-(xylylazo)xylidine

Structural Information

Molecular Formula
C16H21N3
SMILES
CC1=CC(=C(C=C1)N=NC2(CC=C(C(=C2)C)N)C)C
InChI
InChI=1S/C16H21N3/c1-11-5-6-15(12(2)9-11)18-19-16(4)8-7-14(17)13(3)10-16/h5-7,9-10H,8,17H2,1-4H3
InChIKey
PKTAGGFHZQMHSY-UHFFFAOYSA-N
Compound name
4-[(2,4-dimethylphenyl)diazenyl]-4,6-dimethylcyclohexa-1,5-dien-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.17355 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.180826 159.4
[M+Na]+ 278.162768 167.7
[M-H]- 254.166274 169.1
[M+NH4]+ 273.207373 179.4
[M+K]+ 294.136708 164.6
[M+H-H2O]+ 238.170810 151.8
[M+HCOO]- 300.171751 187.4
[M+CH3COO]- 314.187401 210.3
[M+Na-2H]- 276.148216 164.7
[M]+ 255.17300142 159.6
[M]- 255.17409858 159.6
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.