CID 6445997

P-1644

Structural Information

Molecular Formula
C21H23NO3
SMILES
CC1(COC(=N1)/C(=C/C2=CC(=CC(=C2)OC)OC)/C3=CC=CC=C3)C
InChI
InChI=1S/C21H23NO3/c1-21(2)14-25-20(22-21)19(16-8-6-5-7-9-16)12-15-10-17(23-3)13-18(11-15)24-4/h5-13H,14H2,1-4H3/b19-12+
InChIKey
IEJBDDCTTGXDBJ-XDHOZWIPSA-N
Compound name
2-[(E)-2-(3,5-dimethoxyphenyl)-1-phenylethenyl]-4,4-dimethyl-5H-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

337.1678 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17508 181.1
[M+Na]+ 360.15702 188.6
[M-H]- 336.16052 190.4
[M+NH4]+ 355.20162 195.6
[M+K]+ 376.13096 185.7
[M+H-H2O]+ 320.16506 172.3
[M+HCOO]- 382.16600 201.4
[M+CH3COO]- 396.18165 210.1
[M+Na-2H]- 358.14247 182.6
[M]+ 337.16725 184.8
[M]- 337.16835 184.8
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