CID 169913

37349-04-5

Structural Information

Molecular Formula
C22H45N3
SMILES
CC(C)CCCCCCCCCCCCCCC1=NCCN1CCN
InChI
InChI=1S/C22H45N3/c1-21(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22-24-18-20-25(22)19-17-23/h21H,3-20,23H2,1-2H3
InChIKey
JQVMXZAQBAJMBM-UHFFFAOYSA-N
Compound name
2-[2-(15-methylhexadecyl)-4,5-dihydroimidazol-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

351.36136 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.368636 198.7
[M+Na]+ 374.350578 199.1
[M-H]- 350.354084 196.3
[M+NH4]+ 369.395183 210.4
[M+K]+ 390.324518 194.4
[M+H-H2O]+ 334.358620 188.7
[M+HCOO]- 396.359561 214.9
[M+CH3COO]- 410.375211 222.1
[M+Na-2H]- 372.336026 194.1
[M]+ 351.36081142 201.6
[M]- 351.36190858 201.6
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