CID 46937340

Anthelminthicins c

Structural Information

Molecular Formula
C21H38O4
SMILES
C1C[C@H](C=C1)CCCCCCCCCCCCC(=O)OCC(CO)O
InChI
InChI=1S/C21H38O4/c22-17-20(23)18-25-21(24)16-10-8-6-4-2-1-3-5-7-9-13-19-14-11-12-15-19/h11,14,19-20,22-23H,1-10,12-13,15-18H2/t19-,20?/m0/s1
InChIKey
ZWEBYMYJDLNXNN-XJDOXCRVSA-N
Compound name
2,3-dihydroxypropyl 13-[(1R)-cyclopent-2-en-1-yl]tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

354.277 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.28428 196.4
[M+Na]+ 377.26622 196.1
[M-H]- 353.26972 194.4
[M+NH4]+ 372.31082 209.1
[M+K]+ 393.24016 192.3
[M+H-H2O]+ 337.27426 188.8
[M+HCOO]- 399.27520 212.1
[M+CH3COO]- 413.29085 210.5
[M+Na-2H]- 375.25167 191.5
[M]+ 354.27645 199.7
[M]- 354.27755 199.7
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