CID 11101484

Fenprostalene

Structural Information

Molecular Formula
C23H30O6
SMILES
COC(=O)CCC=C=CC[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](COC2=CC=CC=C2)O)O)O
InChI
InChI=1S/C23H30O6/c1-28-23(27)12-8-3-2-7-11-19-20(22(26)15-21(19)25)14-13-17(24)16-29-18-9-5-4-6-10-18/h3-7,9-10,13-14,17,19-22,24-26H,8,11-12,15-16H2,1H3/b14-13+/t2?,17-,19-,20-,21+,22-/m1/s1
InChIKey
BYNHBQROLKAEDQ-GWXRFCNYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

33
References

480
Patents

402.20422 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.21150 200.8
[M+Na]+ 425.19344 207.0
[M+NH4]+ 420.23804 203.5
[M+K]+ 441.16738 203.9
[M-H]- 401.19694 199.3
[M+Na-2H]- 423.17889 200.1
[M]+ 402.20367 200.5
[M]- 402.20477 200.5
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