CID 657220

Diethylstilbestrol dipropionate

Structural Information

Molecular Formula
C24H28O4
SMILES
CC/C(=C(/CC)\C1=CC=C(C=C1)OC(=O)CC)/C2=CC=C(C=C2)OC(=O)CC
InChI
InChI=1S/C24H28O4/c1-5-21(17-9-13-19(14-10-17)27-23(25)7-3)22(6-2)18-11-15-20(16-12-18)28-24(26)8-4/h9-16H,5-8H2,1-4H3/b22-21+
InChIKey
VZMLEMYJUIIHNF-QURGRASLSA-N
Compound name
[4-[(E)-4-(4-propanoyloxyphenyl)hex-3-en-3-yl]phenyl] propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

55
References

509
Patents

380.19876 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.20604 193.6
[M+Na]+ 403.18798 205.0
[M+NH4]+ 398.23258 198.9
[M+K]+ 419.16192 198.6
[M-H]- 379.19148 195.8
[M+Na-2H]- 401.17343 198.8
[M]+ 380.19821 195.7
[M]- 380.19931 195.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe