CID 92093

101-87-1

Structural Information

Molecular Formula
C18H22N2
SMILES
C1CCC(CC1)NC2=CC=C(C=C2)NC3=CC=CC=C3
InChI
InChI=1S/C18H22N2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16,19-20H,2,5-6,9-10H2
InChIKey
ZRMMVODKVLXCBB-UHFFFAOYSA-N
Compound name
1-N-cyclohexyl-4-N-phenylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1
References

11745
Patents

266.17828 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 161.0
[M+Na]+ 289.16750 163.3
[M-H]- 265.17100 169.1
[M+NH4]+ 284.21210 175.8
[M+K]+ 305.14144 158.2
[M+H-H2O]+ 249.17554 151.7
[M+HCOO]- 311.17648 183.1
[M+CH3COO]- 325.19213 171.0
[M+Na-2H]- 287.15295 166.7
[M]+ 266.17773 153.5
[M]- 266.17883 153.5
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.