CID 39845

Ketone, 2-methyl-2-imidazolin-1-yl 3,4,5-trimethoxyphenyl-

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]+ 279.133926 161.9
[M+Na]+ 301.115868 170.8
[M-H]- 277.119374 166.8
[M+NH4]+ 296.160473 177.5
[M+K]+ 317.089808 169.3
[M+H-H2O]+ 261.123910 153.8
[M+HCOO]- 323.124851 183.1
[M+CH3COO]- 337.140501 199.9
[M+Na-2H]- 299.101316 162.7
[M]+ 278.12610142 167.3
[M]- 278.12719858 167.3
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.