CID 5712057

Virodhamine

Structural Information

Molecular Formula
C22H37NO2
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCCN
InChI
InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)25-21-20-23/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21,23H2,1H3/b7-6-,10-9-,13-12-,16-15-
InChIKey
DLHLOYYQQGSXCC-DOFZRALJSA-N
Compound name
2-aminoethyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

24
References

720
Patents

347.28244 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.28972 195.0
[M+Na]+ 370.27166 196.3
[M-H]- 346.27516 192.0
[M+NH4]+ 365.31626 207.8
[M+K]+ 386.24560 189.9
[M+H-H2O]+ 330.27970 187.4
[M+HCOO]- 392.28064 214.5
[M+CH3COO]- 406.29629 216.7
[M+Na-2H]- 368.25711 191.7
[M]+ 347.28189 198.9
[M]- 347.28299 198.9
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.