CID 89427

21074-52-2

Structural Information

Molecular Formula
C19H26N2
SMILES
C[N+](C)(C)CCC[N+]1=CC=C(C=C1)C=CC2=CC=CC=C2
InChI
InChI=1S/C19H26N2/c1-21(2,3)17-7-14-20-15-12-19(13-16-20)11-10-18-8-5-4-6-9-18/h4-6,8-13,15-16H,7,14,17H2,1-3H3/q+2
InChIKey
OEAYVBLRWAYXPE-UHFFFAOYSA-N
Compound name
trimethyl-[3-[4-(2-phenylethenyl)pyridin-1-ium-1-yl]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.2096 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.21688 172.2
[M+Na]+ 305.19882 177.4
[M-H]- 281.20232 178.5
[M+NH4]+ 300.24342 186.5
[M+K]+ 321.17276 161.9
[M+H-H2O]+ 265.20686 168.7
[M+HCOO]- 327.20780 193.4
[M+CH3COO]- 341.22345 194.8
[M+Na-2H]- 303.18427 182.6
[M]+ 282.20905 170.9
[M]- 282.21015 170.9
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.