CID 29066

18429-74-8

Structural Information

Molecular Formula
C14H16N2O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OCC2=CN=CN2
InChI
InChI=1S/C14H16N2O5/c1-18-11-4-9(5-12(19-2)13(11)20-3)14(17)21-7-10-6-15-8-16-10/h4-6,8H,7H2,1-3H3,(H,15,16)
InChIKey
WOLOFGRHNULQTR-UHFFFAOYSA-N
Compound name
1H-imidazol-5-ylmethyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11321 163.9
[M+Na]+ 315.09515 172.1
[M-H]- 291.09865 167.3
[M+NH4]+ 310.13975 177.8
[M+K]+ 331.06909 170.1
[M+H-H2O]+ 275.10319 155.4
[M+HCOO]- 337.10413 185.1
[M+CH3COO]- 351.11978 198.0
[M+Na-2H]- 313.08060 165.9
[M]+ 292.10538 169.7
[M]- 292.10648 169.7
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.