CID 102802

N,n'-(1,3-cyclohexylene)bis(2-chlorobenzylamine) dimaleate

Structural Information

Molecular Formula
C22H28Cl2N2
SMILES
C1CC(CC(C1)CNCC2=CC=CC=C2Cl)CNCC3=CC=CC=C3Cl
InChI
InChI=1S/C22H28Cl2N2/c23-21-10-3-1-8-19(21)15-25-13-17-6-5-7-18(12-17)14-26-16-20-9-2-4-11-22(20)24/h1-4,8-11,17-18,25-26H,5-7,12-16H2
InChIKey
QOQXTZGKDGFVHL-UHFFFAOYSA-N
Compound name
N-[(2-chlorophenyl)methyl]-1-[3-[[(2-chlorophenyl)methylamino]methyl]cyclohexyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

390.16296 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.17024 195.4
[M+Na]+ 413.15218 199.2
[M-H]- 389.15568 202.2
[M+NH4]+ 408.19678 207.1
[M+K]+ 429.12612 190.3
[M+H-H2O]+ 373.16022 186.7
[M+HCOO]- 435.16116 206.4
[M+CH3COO]- 449.17681 203.0
[M+Na-2H]- 411.13763 195.8
[M]+ 390.16241 194.1
[M]- 390.16351 194.1
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