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
5
Annotation Hits

1
References

11225
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

literature stripe

Patent stripe

patents stripe