CID 70427

N,n'-bis(2-chlorobenzyl)-2,6-spiro(3.3)heptanebis(methylamine) dihydrochloride

Structural Information

Molecular Formula
C23H28Cl2N2
SMILES
C1CC2(C1CNCC3=CC=CC=C3Cl)CCC2CNCC4=CC=CC=C4Cl
InChI
InChI=1S/C23H28Cl2N2/c24-21-7-3-1-5-17(21)13-26-15-19-9-11-23(19)12-10-20(23)16-27-14-18-6-2-4-8-22(18)25/h1-8,19-20,26-27H,9-16H2
InChIKey
RLQDOFQIXYASLF-UHFFFAOYSA-N
Compound name
N-[(2-chlorophenyl)methyl]-1-[3-[[(2-chlorophenyl)methylamino]methyl]spiro[3.3]heptan-7-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.16296 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.17024 178.8
[M+Na]+ 425.15218 183.3
[M-H]- 401.15568 186.8
[M+NH4]+ 420.19678 180.6
[M+K]+ 441.12612 180.7
[M+H-H2O]+ 385.16022 162.0
[M+HCOO]- 447.16116 189.2
[M+CH3COO]- 461.17681 232.7
[M+Na-2H]- 423.13763 180.9
[M]+ 402.16241 195.6
[M]- 402.16351 195.6
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.