CID 118885597

(4-(2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl)phenyl) 2-methylprop-2-enoate

Structural Information

Molecular Formula
C21H20O5
SMILES
CC(=C)C(=O)OC1=CC=C(C=C1)C2=C(C=C(C=C2)OC(=O)C(=C)C)OC
InChI
InChI=1S/C21H20O5/c1-13(2)20(22)25-16-8-6-15(7-9-16)18-11-10-17(12-19(18)24-5)26-21(23)14(3)4/h6-12H,1,3H2,2,4-5H3
InChIKey
UNKIKEVVHIQDQU-UHFFFAOYSA-N
Compound name
[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

217
Patents

352.13107 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13835 180.6
[M+Na]+ 375.12029 186.6
[M-H]- 351.12379 187.3
[M+NH4]+ 370.16489 193.2
[M+K]+ 391.09423 184.2
[M+H-H2O]+ 335.12833 172.5
[M+HCOO]- 397.12927 200.5
[M+CH3COO]- 411.14492 215.8
[M+Na-2H]- 373.10574 178.5
[M]+ 352.13052 185.2
[M]- 352.13162 185.2
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

patents stripe