CID 500314

Carbon monoxide; 1-(4-chlorophenyl)-1-phenyl-4-pyrrolidin-1-yl-butan-1-ol; cobaltiocobalt

Structural Information

Molecular Formula
C20H22ClNO
SMILES
C1CCN(C1)C[CH][CH]C(C2=CC=CC=C2)(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C20H22ClNO/c21-19-11-9-18(10-12-19)20(23,17-7-2-1-3-8-17)13-6-16-22-14-4-5-15-22/h1-3,6-13,23H,4-5,14-16H2
InChIKey
LMHBZTMEVJLJDC-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.13898 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.14626 180.6
[M+Na]+ 350.12820 185.4
[M-H]- 326.13170 186.3
[M+NH4]+ 345.17280 194.4
[M+K]+ 366.10214 178.2
[M+H-H2O]+ 310.13624 171.9
[M+HCOO]- 372.13718 193.2
[M+CH3COO]- 386.15283 203.6
[M+Na-2H]- 348.11365 182.0
[M]+ 327.13843 179.1
[M]- 327.13953 179.1
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.