CID 25904

Clofenciclan

Structural Information

Molecular Formula
C18H28ClNO
SMILES
CCN(CC)CCOC1(CCCCC1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C18H28ClNO/c1-3-20(4-2)14-15-21-18(12-6-5-7-13-18)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15H2,1-2H3
InChIKey
FFCARBNHUSWRGK-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorophenyl)cyclohexyl]oxy-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

277
Patents

309.18594 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.19322 176.0
[M+Na]+ 332.17516 179.7
[M-H]- 308.17866 182.2
[M+NH4]+ 327.21976 193.5
[M+K]+ 348.14910 175.6
[M+H-H2O]+ 292.18320 168.6
[M+HCOO]- 354.18414 191.9
[M+CH3COO]- 368.19979 209.6
[M+Na-2H]- 330.16061 178.2
[M]+ 309.18539 176.9
[M]- 309.18649 176.9
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