CID 44151310

Einecs 298-090-1

Structural Information

Molecular Formula
C22H25NO6
SMILES
COC1=CC(=C(C=C1/C=C(/C2=CC=CC=C2)\C3=NC(CO3)(CO)CO)OC)OC
InChI
InChI=1S/C22H25NO6/c1-26-18-11-20(28-3)19(27-2)10-16(18)9-17(15-7-5-4-6-8-15)21-23-22(12-24,13-25)14-29-21/h4-11,24-25H,12-14H2,1-3H3/b17-9-
InChIKey
RIVMDWVDTYXUET-MFOYZWKCSA-N
Compound name
[4-(hydroxymethyl)-2-[(Z)-1-phenyl-2-(2,4,5-trimethoxyphenyl)ethenyl]-5H-1,3-oxazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.16818 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.175456 194.1
[M+Na]+ 422.157398 200.3
[M-H]- 398.160904 200.9
[M+NH4]+ 417.202003 204.5
[M+K]+ 438.131338 197.9
[M+H-H2O]+ 382.165440 185.4
[M+HCOO]- 444.166381 211.5
[M+CH3COO]- 458.182031 216.2
[M+Na-2H]- 420.142846 194.3
[M]+ 399.16763142 199.2
[M]- 399.16872858 199.2
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.