CID 16428

2110-31-8

Structural Information

Molecular Formula
C20H25N2O
SMILES
CC[N+](C)(CC)CC#CC(C1=CC=CC=C1)(C2=CC=CC=N2)O
InChI
InChI=1S/C20H25N2O/c1-4-22(3,5-2)17-11-15-20(23,18-12-7-6-8-13-18)19-14-9-10-16-21-19/h6-10,12-14,16,23H,4-5,17H2,1-3H3/q+1
InChIKey
JYDBRKRHDUTVQQ-UHFFFAOYSA-N
Compound name
diethyl-(4-hydroxy-4-phenyl-4-pyridin-2-ylbut-2-ynyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.1967 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.20398 185.5
[M+Na]+ 332.18592 192.0
[M-H]- 308.18942 187.5
[M+NH4]+ 327.23052 196.3
[M+K]+ 348.15986 180.5
[M+H-H2O]+ 292.19396 173.2
[M+HCOO]- 354.19490 198.2
[M+CH3COO]- 368.21055 206.8
[M+Na-2H]- 330.17137 191.9
[M]+ 309.19615 178.4
[M]- 309.19725 178.4
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.