CID 32124

N-(alpha-(p-chlorophenyl)benzyl)-n'-cyclohexylethylenediamine

Structural Information

Molecular Formula
C21H27ClN2
SMILES
C1CCC(CC1)NCCNC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H27ClN2/c22-19-13-11-18(12-14-19)21(17-7-3-1-4-8-17)24-16-15-23-20-9-5-2-6-10-20/h1,3-4,7-8,11-14,20-21,23-24H,2,5-6,9-10,15-16H2
InChIKey
NLVNLWJWDYTLMB-UHFFFAOYSA-N
Compound name
N'-[(4-chlorophenyl)-phenylmethyl]-N-cyclohexylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.18628 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.19356 183.0
[M+Na]+ 365.17550 184.4
[M-H]- 341.17900 190.1
[M+NH4]+ 360.22010 195.4
[M+K]+ 381.14944 177.4
[M+H-H2O]+ 325.18354 173.7
[M+HCOO]- 387.18448 198.4
[M+CH3COO]- 401.20013 191.0
[M+Na-2H]- 363.16095 185.1
[M]+ 342.18573 178.3
[M]- 342.18683 178.3
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.