CID 10063645

Callyspongenol c

Structural Information

Molecular Formula
C22H24O
SMILES
C#C/C=C\CCCC/C=C\C#CC#CCCC/C=C\C#CCO
InChI
InChI=1S/C22H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h1,3-4,9-10,18-19,23H,5-8,15-17,22H2/b4-3-,10-9-,19-18-
InChIKey
XCLAUSBLXUZFRL-FNASMSCBSA-N
Compound name
(4Z,13Z,19Z)-docosa-4,13,19-trien-2,9,11,21-tetrayn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

304.1827 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.18998 169.5
[M+Na]+ 327.17192 174.6
[M-H]- 303.17542 172.8
[M+NH4]+ 322.21652 173.0
[M+K]+ 343.14586 171.0
[M+H-H2O]+ 287.17996 162.1
[M+HCOO]- 349.18090 169.4
[M+CH3COO]- 363.19655 245.7
[M+Na-2H]- 325.15737 166.1
[M]+ 304.18215 164.7
[M]- 304.18325 164.7
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

No patent data available for this compound.