CID 5387614

Ferprenin

Structural Information

Molecular Formula
C24H28O3
SMILES
CC(=CCC/C(=C/CCC1(C=CC2=C(O1)C3=CC=CC=C3OC2=O)C)/C)C
InChI
InChI=1S/C24H28O3/c1-17(2)9-7-10-18(3)11-8-15-24(4)16-14-20-22(27-24)19-12-5-6-13-21(19)26-23(20)25/h5-6,9,11-14,16H,7-8,10,15H2,1-4H3/b18-11+
InChIKey
JQLNFODDCYXPCO-WOJGMQOQSA-N
Compound name
2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methylpyrano[3,2-c]chromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

364.20386 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.21114 191.5
[M+Na]+ 387.19308 198.4
[M-H]- 363.19658 197.3
[M+NH4]+ 382.23768 205.6
[M+K]+ 403.16702 195.0
[M+H-H2O]+ 347.20112 183.5
[M+HCOO]- 409.20206 206.2
[M+CH3COO]- 423.21771 219.4
[M+Na-2H]- 385.17853 194.8
[M]+ 364.20331 196.0
[M]- 364.20441 196.0
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