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]+ 293.113206 163.9
[M+Na]+ 315.095148 172.1
[M-H]- 291.098654 167.3
[M+NH4]+ 310.139753 177.8
[M+K]+ 331.069088 170.1
[M+H-H2O]+ 275.103190 155.4
[M+HCOO]- 337.104131 185.1
[M+CH3COO]- 351.119781 198.0
[M+Na-2H]- 313.080596 165.9
[M]+ 292.10538142 169.7
[M]- 292.10647858 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.