CID 2795

Clofedanol

Structural Information

Molecular Formula
C17H20ClNO
SMILES
CN(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2Cl)O
InChI
InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3
InChIKey
WRCHFMBCVFFYEQ-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

17
References

5292
Patents

289.12335 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.13063 167.8
[M+Na]+ 312.11257 174.2
[M-H]- 288.11607 174.1
[M+NH4]+ 307.15717 183.8
[M+K]+ 328.08651 169.1
[M+H-H2O]+ 272.12061 160.9
[M+HCOO]- 334.12155 185.3
[M+CH3COO]- 348.13720 204.0
[M+Na-2H]- 310.09802 172.9
[M]+ 289.12280 170.3
[M]- 289.12390 170.3
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