CID 217776

39617-55-5

Structural Information

Molecular Formula
C19H22ClN
SMILES
CN(C)C1CCC(C1)(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H22ClN/c1-21(2)18-12-13-19(14-18,15-6-4-3-5-7-15)16-8-10-17(20)11-9-16/h3-11,18H,12-14H2,1-2H3
InChIKey
NRYVCTOVIGJFOK-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-N,N-dimethyl-3-phenylcyclopentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

299.14407 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.15135 172.6
[M+Na]+ 322.13329 179.3
[M-H]- 298.13679 183.2
[M+NH4]+ 317.17789 192.4
[M+K]+ 338.10723 173.6
[M+H-H2O]+ 282.14133 164.8
[M+HCOO]- 344.14227 191.6
[M+CH3COO]- 358.15792 184.5
[M+Na-2H]- 320.11874 174.2
[M]+ 299.14352 172.6
[M]- 299.14462 172.6
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

patents stripe