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 180.0
[M+Na]+ 349.14419 186.0
[M-H]- 325.14769 185.1
[M+NH4]+ 344.18879 195.0
[M+K]+ 365.11813 178.7
[M+H-H2O]+ 309.15223 170.1
[M+HCOO]- 371.15317 189.8
[M+CH3COO]- 385.16882 189.0
[M+Na-2H]- 347.12964 179.9
[M]+ 326.15442 177.8
[M]- 326.15552 177.8
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.