CID 6442127

Einecs 268-785-4

Structural Information

Molecular Formula
C22H43N3
SMILES
CCCCCCCCCCCCCCC/C=C/C1=NCCN1CCN
InChI
InChI=1S/C22H43N3/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/h16-17H,2-15,18-21,23H2,1H3/b17-16+
InChIKey
XJGPOEZAWZVNEF-WUKNDPDISA-N
Compound name
2-[2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.3457 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.35298 196.5
[M+Na]+ 372.33492 197.5
[M-H]- 348.33842 194.0
[M+NH4]+ 367.37952 208.4
[M+K]+ 388.30886 191.7
[M+H-H2O]+ 332.34296 186.4
[M+HCOO]- 394.34390 213.9
[M+CH3COO]- 408.35955 219.9
[M+Na-2H]- 370.32037 193.1
[M]+ 349.34515 199.2
[M]- 349.34625 199.2
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