CID 173112

1-dodecylbenzylquinoline

Structural Information

Molecular Formula
C28H38N
SMILES
CCCCCCCCCCCCC1=CC=CC=C1C[N+]2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C28H38N/c1-2-3-4-5-6-7-8-9-10-11-17-25-18-12-13-20-27(25)24-29-23-16-21-26-19-14-15-22-28(26)29/h12-16,18-23H,2-11,17,24H2,1H3/q+1
InChIKey
CNLZTMKTPMBSIV-UHFFFAOYSA-N
Compound name
1-[(2-dodecylphenyl)methyl]quinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.3004 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.30768 208.2
[M+Na]+ 411.28962 211.4
[M-H]- 387.29312 212.2
[M+NH4]+ 406.33422 218.7
[M+K]+ 427.26356 197.7
[M+H-H2O]+ 371.29766 199.5
[M+HCOO]- 433.29860 225.4
[M+CH3COO]- 447.31425 219.8
[M+Na-2H]- 409.27507 211.8
[M]+ 388.29985 210.4
[M]- 388.30095 210.4
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.