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
1
Annotation Hits

0
References

0
Patents

351.36136 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.36864 198.7
[M+Na]+ 374.35058 199.1
[M-H]- 350.35408 196.3
[M+NH4]+ 369.39518 210.4
[M+K]+ 390.32452 194.4
[M+H-H2O]+ 334.35862 188.7
[M+HCOO]- 396.35956 214.9
[M+CH3COO]- 410.37521 222.1
[M+Na-2H]- 372.33603 194.1
[M]+ 351.36081 201.6
[M]- 351.36191 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