CID 45832

63977-99-1

Structural Information

Molecular Formula
C20H22Cl2N2
SMILES
CN1C2CCC1CN(C2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H22Cl2N2/c1-23-18-10-11-19(23)13-24(12-18)20(14-2-6-16(21)7-3-14)15-4-8-17(22)9-5-15/h2-9,18-20H,10-13H2,1H3
InChIKey
XNGVYJWKLCIAOT-UHFFFAOYSA-N
Compound name
3-[bis(4-chlorophenyl)methyl]-8-methyl-3,8-diazabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.116 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12328 187.0
[M+Na]+ 383.10522 194.3
[M-H]- 359.10872 191.5
[M+NH4]+ 378.14982 201.3
[M+K]+ 399.07916 186.0
[M+H-H2O]+ 343.11326 177.5
[M+HCOO]- 405.11420 191.6
[M+CH3COO]- 419.12985 195.5
[M+Na-2H]- 381.09067 185.3
[M]+ 360.11545 186.5
[M]- 360.11655 186.5
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.