CID 200473

2110-54-5

Structural Information

Molecular Formula
C21H25N2O
SMILES
C[N+]1(CCCCC1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=N3)O
InChI
InChI=1S/C21H25N2O/c1-23(16-8-3-9-17-23)18-10-14-21(24,19-11-4-2-5-12-19)20-13-6-7-15-22-20/h2,4-7,11-13,15,24H,3,8-9,16-18H2,1H3/q+1
InChIKey
FBWAVKQBBMTIEZ-UHFFFAOYSA-N
Compound name
4-(1-methylpiperidin-1-ium-1-yl)-1-phenyl-1-pyridin-2-ylbut-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1967 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.203976 187.1
[M+Na]+ 344.185918 193.1
[M-H]- 320.189424 188.4
[M+NH4]+ 339.230523 196.8
[M+K]+ 360.159858 178.5
[M+H-H2O]+ 304.193960 173.2
[M+HCOO]- 366.194901 194.8
[M+CH3COO]- 380.210551 201.8
[M+Na-2H]- 342.171366 192.0
[M]+ 321.19615142 174.3
[M]- 321.19724858 174.3
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.