CID 6445992

Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-(3,4,5-trimethoxyphenyl)ethenyl)-

Structural Information

Molecular Formula
C16H21NO4
SMILES
CC1(COC(=N1)/C=C/C2=CC(=C(C(=C2)OC)OC)OC)C
InChI
InChI=1S/C16H21NO4/c1-16(2)10-21-14(17-16)7-6-11-8-12(18-3)15(20-5)13(9-11)19-4/h6-9H,10H2,1-5H3/b7-6+
InChIKey
QJPDNRMPEKONFW-VOTSOKGWSA-N
Compound name
4,4-dimethyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

291.14706 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.154336 164.8
[M+Na]+ 314.136278 174.3
[M-H]- 290.139784 171.7
[M+NH4]+ 309.180883 182.3
[M+K]+ 330.110218 173.2
[M+H-H2O]+ 274.144320 158.2
[M+HCOO]- 336.145261 186.8
[M+CH3COO]- 350.160911 201.8
[M+Na-2H]- 312.121726 168.0
[M]+ 291.14651142 172.1
[M]- 291.14760858 172.1
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

patents stripe