CID 121230854

185626-66-8

Structural Information

Molecular Formula
C21H22ClNO2
SMILES
C1CC1C(=O)C2=CC=C(C=C2)N3CCC(CC3)(C4=CC=C(C=C4)Cl)O
InChI
InChI=1S/C21H22ClNO2/c22-18-7-5-17(6-8-18)21(25)11-13-23(14-12-21)19-9-3-16(4-10-19)20(24)15-1-2-15/h3-10,15,25H,1-2,11-14H2
InChIKey
OUDKJAWJKFIFIW-UHFFFAOYSA-N
Compound name
[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-cyclopropylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1339 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14118 179.9
[M+Na]+ 378.12312 186.9
[M-H]- 354.12662 189.1
[M+NH4]+ 373.16772 188.1
[M+K]+ 394.09706 181.1
[M+H-H2O]+ 338.13116 171.3
[M+HCOO]- 400.13210 191.9
[M+CH3COO]- 414.14775 188.8
[M+Na-2H]- 376.10857 181.0
[M]+ 355.13335 179.5
[M]- 355.13445 179.5
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.