CID 102800

N,n'-(1,4-cyclohexenylene)bis(2-chlorobenzylamine) dihydrochloride

Structural Information

Molecular Formula
C22H26Cl2N2
SMILES
C1CC(=CCC1CNCC2=CC=CC=C2Cl)CNCC3=CC=CC=C3Cl
InChI
InChI=1S/C22H26Cl2N2/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/h1-9,18,25-26H,10-16H2
InChIKey
IVQWYFMOEHYBTN-UHFFFAOYSA-N
Compound name
N-[(2-chlorophenyl)methyl]-1-[4-[[(2-chlorophenyl)methylamino]methyl]cyclohex-3-en-1-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1473 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15458 194.2
[M+Na]+ 411.13652 199.0
[M-H]- 387.14002 201.3
[M+NH4]+ 406.18112 206.1
[M+K]+ 427.11046 190.0
[M+H-H2O]+ 371.14456 185.5
[M+HCOO]- 433.14550 206.6
[M+CH3COO]- 447.16115 202.4
[M+Na-2H]- 409.12197 195.6
[M]+ 388.14675 194.3
[M]- 388.14785 194.3
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

patents stripe