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
2
Annotation Hits

0
References

99
Patents

351.36136 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.36864 197.3
[M+Na]+ 374.35058 198.0
[M-H]- 350.35408 194.7
[M+NH4]+ 369.39518 209.1
[M+K]+ 390.32452 192.7
[M+H-H2O]+ 334.35862 187.1
[M+HCOO]- 396.35956 214.5
[M+CH3COO]- 410.37521 221.4
[M+Na-2H]- 372.33603 193.9
[M]+ 351.36081 200.8
[M]- 351.36191 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