CID 76374

1h-imidazole-1-ethanamine, 2-heptadecyl-4,5-dihydro-

Structural Information

Molecular Formula
C22H45N3
SMILES
CCCCCCCCCCCCCCCCCC1=NCCN1CCN
InChI
InChI=1S/C22H45N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-24-19-21-25(22)20-18-23/h2-21,23H2,1H3
InChIKey
ZDESIKLNPAKKBA-UHFFFAOYSA-N
Compound name
2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

127
Patents

351.36136 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.368636 197.3
[M+Na]+ 374.350578 198.0
[M-H]- 350.354084 194.7
[M+NH4]+ 369.395183 209.1
[M+K]+ 390.324518 192.7
[M+H-H2O]+ 334.358620 187.1
[M+HCOO]- 396.359561 214.5
[M+CH3COO]- 410.375211 221.4
[M+Na-2H]- 372.336026 193.9
[M]+ 351.36081142 200.8
[M]- 351.36190858 200.8
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