CID 9705

Ay 9944

Structural Information

Molecular Formula
C22H28Cl2N2
SMILES
C1CC(CCC1CNCC2=CC=CC=C2Cl)CNCC3=CC=CC=C3Cl
InChI
InChI=1S/C22H28Cl2N2/c23-21-7-3-1-5-19(21)15-25-13-17-9-11-18(12-10-17)14-26-16-20-6-2-4-8-22(20)24/h1-8,17-18,25-26H,9-16H2
InChIKey
RZRPZWGIOOZIBE-UHFFFAOYSA-N
Compound name
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

168
References

128
Patents

390.16296 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.17024 196.8
[M+Na]+ 413.15218 211.2
[M+NH4]+ 408.19678 206.3
[M+K]+ 429.12612 199.3
[M-H]- 389.15568 205.1
[M+Na-2H]- 411.13763 206.1
[M]+ 390.16241 201.9
[M]- 390.16351 201.9
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