CID 3066140

1-ethyl-1-methyl-4-(2-naphthylmethyl)piperazinium iodide

Structural Information

Molecular Formula
C18H25N2
SMILES
CC[N+]1(CCN(CC1)CC2=CC3=CC=CC=C3C=C2)C
InChI
InChI=1S/C18H25N2/c1-3-20(2)12-10-19(11-13-20)15-16-8-9-17-6-4-5-7-18(17)14-16/h4-9,14H,3,10-13,15H2,1-2H3/q+1
InChIKey
CBAGGBRVHICGOC-UHFFFAOYSA-N
Compound name
1-ethyl-1-methyl-4-(naphthalen-2-ylmethyl)piperazin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.20178 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.20906 166.9
[M+Na]+ 292.19100 172.6
[M-H]- 268.19450 170.8
[M+NH4]+ 287.23560 183.2
[M+K]+ 308.16494 161.8
[M+H-H2O]+ 252.19904 159.7
[M+HCOO]- 314.19998 182.2
[M+CH3COO]- 328.21563 193.3
[M+Na-2H]- 290.17645 174.3
[M]+ 269.20123 162.0
[M]- 269.20233 162.0
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.