CID 6446001

Oxazole, 4,5-dihydro-2-(1,2-bis(4-methoxyphenyl)ethenyl)-4,4-dimethyl-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

337.1678 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.175076 181.1
[M+Na]+ 360.157018 188.6
[M-H]- 336.160524 190.4
[M+NH4]+ 355.201623 195.6
[M+K]+ 376.130958 185.7
[M+H-H2O]+ 320.165060 172.3
[M+HCOO]- 382.166001 201.4
[M+CH3COO]- 396.181651 210.1
[M+Na-2H]- 358.142466 182.6
[M]+ 337.16725142 184.8
[M]- 337.16834858 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