CID 6069539

331460-73-2

Structural Information

Molecular Formula
C19H20O4S
SMILES
CC(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)OS(=O)(=O)C
InChI
InChI=1S/C19H20O4S/c1-14(2)16-7-4-15(5-8-16)6-13-19(20)17-9-11-18(12-10-17)23-24(3,21)22/h4-14H,1-3H3/b13-6+
InChIKey
YSOIUAUGEVHNLW-AWNIVKPZSA-N
Compound name
[4-[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]phenyl] methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.10822 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11550 179.2
[M+Na]+ 367.09744 186.0
[M-H]- 343.10094 185.9
[M+NH4]+ 362.14204 192.7
[M+K]+ 383.07138 181.6
[M+H-H2O]+ 327.10548 171.6
[M+HCOO]- 389.10642 194.8
[M+CH3COO]- 403.12207 209.4
[M+Na-2H]- 365.08289 179.4
[M]+ 344.10767 184.1
[M]- 344.10877 184.1
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

No patent data available for this compound.