CID 16430

2110-33-0

Structural Information

Molecular Formula
C18H21N2O
SMILES
C[N+](C)(C)CC#CC(C1=CC=CC=C1)(C2=CC=CC=N2)O
InChI
InChI=1S/C18H21N2O/c1-20(2,3)15-9-13-18(21,16-10-5-4-6-11-16)17-12-7-8-14-19-17/h4-8,10-12,14,21H,15H2,1-3H3/q+1
InChIKey
MUMTUZWXHQLLMC-UHFFFAOYSA-N
Compound name
(4-hydroxy-4-phenyl-4-pyridin-2-ylbut-2-ynyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.16537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.17265 177.5
[M+Na]+ 304.15459 184.9
[M-H]- 280.15809 179.9
[M+NH4]+ 299.19919 189.4
[M+K]+ 320.12853 173.7
[M+H-H2O]+ 264.16263 165.7
[M+HCOO]- 326.16357 190.8
[M+CH3COO]- 340.17922 201.4
[M+Na-2H]- 302.14004 184.9
[M]+ 281.16482 169.8
[M]- 281.16592 169.8
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

No patent data available for this compound.