CID 39845

Brn 0557852

Structural Information

Molecular Formula
C14H18N2O4
SMILES
CC1=NCCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C14H18N2O4/c1-9-15-5-6-16(9)14(17)10-7-11(18-2)13(20-4)12(8-10)19-3/h7-8H,5-6H2,1-4H3
InChIKey
AIUYHUNPKANBLG-UHFFFAOYSA-N
Compound name
(2-methyl-4,5-dihydroimidazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.12665 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13393 163.7
[M+Na]+ 301.11587 175.5
[M+NH4]+ 296.16047 169.6
[M+K]+ 317.08981 172.5
[M-H]- 277.11937 164.7
[M+Na-2H]- 299.10132 168.5
[M]+ 278.12610 165.4
[M]- 278.12720 165.4
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.