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]+ 279.13393 161.9
[M+Na]+ 301.11587 170.8
[M-H]- 277.11937 166.8
[M+NH4]+ 296.16047 177.5
[M+K]+ 317.08981 169.3
[M+H-H2O]+ 261.12391 153.8
[M+HCOO]- 323.12485 183.1
[M+CH3COO]- 337.14050 199.9
[M+Na-2H]- 299.10132 162.7
[M]+ 278.12610 167.3
[M]- 278.12720 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.