CID 5926804

Nsc653325

Structural Information

Molecular Formula
C19H18O4
SMILES
CC1=CC(=C(C=C1)OC(=O)C)C(=O)/C=C/C2=CC=C(C=C2)OC
InChI
InChI=1S/C19H18O4/c1-13-4-11-19(23-14(2)20)17(12-13)18(21)10-7-15-5-8-16(22-3)9-6-15/h4-12H,1-3H3/b10-7+
InChIKey
GPITWTOPXQICKT-JXMROGBWSA-N
Compound name
[2-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-4-methylphenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1205 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12778 171.2
[M+Na]+ 333.10972 178.6
[M-H]- 309.11322 178.1
[M+NH4]+ 328.15432 185.9
[M+K]+ 349.08366 175.3
[M+H-H2O]+ 293.11776 163.2
[M+HCOO]- 355.11870 193.4
[M+CH3COO]- 369.13435 206.7
[M+Na-2H]- 331.09517 172.2
[M]+ 310.11995 175.5
[M]- 310.12105 175.5
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

No patent data available for this compound.