CID 77836

N,n'-dicyclohexyl-p-phenylenediamine

Structural Information

Molecular Formula
C18H28N2
SMILES
C1CCC(CC1)NC2=CC=C(C=C2)NC3CCCCC3
InChI
InChI=1S/C18H28N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h11-16,19-20H,1-10H2
InChIKey
AIMXDOGPMWDCDF-UHFFFAOYSA-N
Compound name
1-N,4-N-dicyclohexylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5852
Patents

272.22525 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.23253 164.7
[M+Na]+ 295.21447 163.9
[M-H]- 271.21797 171.6
[M+NH4]+ 290.25907 179.0
[M+K]+ 311.18841 159.4
[M+H-H2O]+ 255.22251 155.3
[M+HCOO]- 317.22345 182.5
[M+CH3COO]- 331.23910 173.1
[M+Na-2H]- 293.19992 167.3
[M]+ 272.22470 152.9
[M]- 272.22580 152.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe