CID 44144889

94138-96-2

Structural Information

Molecular Formula
C23H48N3
SMILES
CCCCCCCCCCCCCCCCCC1=NCC[N+]1(C)CCN
InChI
InChI=1S/C23H48N3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-25-20-22-26(23,2)21-19-24/h3-22,24H2,1-2H3/q+1
InChIKey
GDTXOEZOBSHWLR-UHFFFAOYSA-N
Compound name
2-(2-heptadecyl-1-methyl-4,5-dihydroimidazol-1-ium-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.38483 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.392106 198.0
[M+Na]+ 389.374048 199.1
[M-H]- 365.377554 195.8
[M+NH4]+ 384.418653 211.2
[M+K]+ 405.347988 188.3
[M+H-H2O]+ 349.382090 191.6
[M+HCOO]- 411.383031 214.6
[M+CH3COO]- 425.398681 217.4
[M+Na-2H]- 387.359496 198.1
[M]+ 366.38428142 200.4
[M]- 366.38537858 200.4
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.