CID 200470

2110-52-3

Structural Information

Molecular Formula
C19H20N2O
SMILES
C1CCN(C1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=N3)O
InChI
InChI=1S/C19H20N2O/c22-19(17-9-2-1-3-10-17,18-11-4-5-13-20-18)12-8-16-21-14-6-7-15-21/h1-5,9-11,13,22H,6-7,14-16H2
InChIKey
QIECDKHKYSTDGS-UHFFFAOYSA-N
Compound name
1-phenyl-1-pyridin-2-yl-4-pyrrolidin-1-ylbut-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.15756 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 175.3
[M+Na]+ 315.14678 187.3
[M+NH4]+ 310.19138 179.3
[M+K]+ 331.12072 178.1
[M-H]- 291.15028 170.8
[M+Na-2H]- 313.13223 180.3
[M]+ 292.15701 175.0
[M]- 292.15811 175.0
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.