CID 3044893

Brn 0557079

Structural Information

Molecular Formula
C18H27N3O3
SMILES
CCCCOC1=CC(=CC(=N1)OCCCC)C(=O)N2CCN=C2C
InChI
InChI=1S/C18H27N3O3/c1-4-6-10-23-16-12-15(13-17(20-16)24-11-7-5-2)18(22)21-9-8-19-14(21)3/h12-13H,4-11H2,1-3H3
InChIKey
FKCJNGUFBTXFQQ-UHFFFAOYSA-N
Compound name
(2,6-dibutoxypyridin-4-yl)-(2-methyl-4,5-dihydroimidazol-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.20523 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.21251 182.1
[M+Na]+ 356.19445 188.3
[M-H]- 332.19795 184.3
[M+NH4]+ 351.23905 193.7
[M+K]+ 372.16839 185.0
[M+H-H2O]+ 316.20249 172.0
[M+HCOO]- 378.20343 200.2
[M+CH3COO]- 392.21908 211.1
[M+Na-2H]- 354.17990 181.1
[M]+ 333.20468 187.4
[M]- 333.20578 187.4
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.