CID 6445992

P-1730

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

1
Patents

291.14706 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15434 164.8
[M+Na]+ 314.13628 174.3
[M-H]- 290.13978 171.7
[M+NH4]+ 309.18088 182.3
[M+K]+ 330.11022 173.2
[M+H-H2O]+ 274.14432 158.2
[M+HCOO]- 336.14526 186.8
[M+CH3COO]- 350.16091 201.8
[M+Na-2H]- 312.12173 168.0
[M]+ 291.14651 172.1
[M]- 291.14761 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