CID 200483

2128-80-5

Structural Information

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

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 175.1
[M+Na]+ 315.14678 181.9
[M-H]- 291.15028 176.4
[M+NH4]+ 310.19138 185.9
[M+K]+ 331.12072 173.2
[M+H-H2O]+ 275.15482 159.0
[M+HCOO]- 337.15576 185.8
[M+CH3COO]- 351.17141 182.1
[M+Na-2H]- 313.13223 176.6
[M]+ 292.15701 164.8
[M]- 292.15811 164.8
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