CID 368695

Nsc639827

Structural Information

Molecular Formula
C22H24N2O5
SMILES
COC1=CC=C(C=C1)COCC(CN2C=CN=C2)OCC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C22H24N2O5/c1-27-20-8-4-17(5-9-20)13-28-15-21(12-24-11-10-23-16-24)29-14-18-2-6-19(7-3-18)22(25)26/h2-11,16,21H,12-15H2,1H3,(H,25,26)
InChIKey
HZUHJKIQXMNCDR-UHFFFAOYSA-N
Compound name
4-[[1-imidazol-1-yl-3-[(4-methoxyphenyl)methoxy]propan-2-yl]oxymethyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.16852 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.17580 193.5
[M+Na]+ 419.15774 197.7
[M-H]- 395.16124 198.8
[M+NH4]+ 414.20234 201.8
[M+K]+ 435.13168 194.2
[M+H-H2O]+ 379.16578 182.5
[M+HCOO]- 441.16672 212.1
[M+CH3COO]- 455.18237 217.8
[M+Na-2H]- 417.14319 193.2
[M]+ 396.16797 198.2
[M]- 396.16907 198.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.