CID 31041

Gamfexine hydrochloride

Structural Information

Molecular Formula
C17H27N
SMILES
CN(C)CCC(C1CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C17H27N/c1-18(2)14-13-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3,5-6,9-10,16-17H,4,7-8,11-14H2,1-2H3
InChIKey
AJDSHXKJJDQZCJ-UHFFFAOYSA-N
Compound name
3-cyclohexyl-N,N-dimethyl-3-phenylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

331
Patents

245.21436 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.22164 162.2
[M+Na]+ 268.20358 163.3
[M-H]- 244.20708 168.2
[M+NH4]+ 263.24818 179.1
[M+K]+ 284.17752 161.1
[M+H-H2O]+ 228.21162 153.9
[M+HCOO]- 290.21256 181.7
[M+CH3COO]- 304.22821 201.3
[M+Na-2H]- 266.18903 163.9
[M]+ 245.21381 157.8
[M]- 245.21491 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe