CID 164512311

[1-amino-2-(2-tridecyl-4,5-dihydroimidazol-1-yl)ethyl] acetate

Structural Information

Molecular Formula
C20H39N3O2
SMILES
CCCCCCCCCCCCCC1=NCCN1CC(N)OC(=O)C
InChI
InChI=1S/C20H39N3O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-22-15-16-23(20)17-19(21)25-18(2)24/h19H,3-17,21H2,1-2H3
InChIKey
GCMUFFGMSTVYIH-UHFFFAOYSA-N
Compound name
[1-amino-2-(2-tridecyl-4,5-dihydroimidazol-1-yl)ethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.30423 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.311506 195.4
[M+Na]+ 376.293448 196.6
[M-H]- 352.296954 193.6
[M+NH4]+ 371.338053 206.9
[M+K]+ 392.267388 193.4
[M+H-H2O]+ 336.301490 185.7
[M+HCOO]- 398.302431 212.0
[M+CH3COO]- 412.318081 219.4
[M+Na-2H]- 374.278896 190.8
[M]+ 353.30368142 199.0
[M]- 353.30477858 199.0
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

No patent data available for this compound.