CID 5387750

Nsc626777

Structural Information

Molecular Formula

C₂₄H₃₆O₄

SMILES

CCCCCCCCCCCCCCCC1=CC(=O)C2=C(C=C(C=C2O1)O)O

InChI

InChI=1S/C24H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-18-22(27)24-21(26)16-19(25)17-23(24)28-20/h16-18,25-26H,2-15H2,1H3

InChIKey

ASOPTATVXGFPQP-UHFFFAOYSA-N

Compound name

5,7-dihydroxy-2-pentadecylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 388.26135 Da
Monoisotopic Mass: 8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	389.26863	199.9
[M+Na]+	411.25057	205.0
[M-H]-	387.25407	201.1
[M+NH4]+	406.29517	210.5
[M+K]+	427.22451	199.8
[M+H-H2O]+	371.25861	191.7
[M+HCOO]-	433.25955	216.1
[M+CH3COO]-	447.27520	221.0
[M+Na-2H]-	409.23602	200.3
[M]+	388.26080	207.3
[M]-	388.26190	207.3

Literature stripe

literature stripe

Patent stripe

patents stripe