CID 45821

63977-84-4

Structural Information

Molecular Formula
C20H23ClN2
SMILES
CN1C2CCC1CN(C2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H23ClN2/c1-22-18-11-12-19(22)14-23(13-18)20(15-5-3-2-4-6-15)16-7-9-17(21)10-8-16/h2-10,18-20H,11-14H2,1H3
InChIKey
WDECDYIZHLLLNN-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenyl)-phenylmethyl]-8-methyl-3,8-diazabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.15497 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.16225 178.4
[M+Na]+ 349.14419 193.6
[M+NH4]+ 344.18879 188.7
[M+K]+ 365.11813 185.3
[M-H]- 325.14769 184.1
[M+Na-2H]- 347.12964 185.6
[M]+ 326.15442 182.7
[M]- 326.15552 182.7
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.