CID 103360

1-(1-naphthylmethyl)quinolinium chloride

Structural Information

Molecular Formula
C20H16N
SMILES
C1=CC=C2C(=C1)C=CC=C2C[N+]3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H16N/c1-3-12-19-16(7-1)9-5-10-18(19)15-21-14-6-11-17-8-2-4-13-20(17)21/h1-14H,15H2/q+1
InChIKey
LBLMSLFZKCAHRB-UHFFFAOYSA-N
Compound name
1-(naphthalen-1-ylmethyl)quinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

270.12827 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13555 166.2
[M+Na]+ 293.11749 175.3
[M-H]- 269.12099 173.6
[M+NH4]+ 288.16209 182.4
[M+K]+ 309.09143 162.7
[M+H-H2O]+ 253.12553 159.0
[M+HCOO]- 315.12647 187.4
[M+CH3COO]- 329.14212 177.8
[M+Na-2H]- 291.10294 178.2
[M]+ 270.12772 165.9
[M]- 270.12882 165.9
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

patents stripe