CID 53249197

Jwh-176

Structural Information

Molecular Formula

C₂₅H₂₄

SMILES

CCCCCC1=C/C(=C\C2=CC=CC3=CC=CC=C32)/C4=CC=CC=C41

InChI

InChI=1S/C25H24/c1-2-3-4-11-21-18-22(25-16-8-7-15-24(21)25)17-20-13-9-12-19-10-5-6-14-23(19)20/h5-10,12-18H,2-4,11H2,1H3/b22-17+

InChIKey

FPESBQVTVSBBSE-OQKWZONESA-N

Compound name

1-[(E)-(3-pentylinden-1-ylidene)methyl]naphthalene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 16
Patents: 324.1878 Da
Monoisotopic Mass: 7.5
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]+	325.19508	182.4
[M+Na]+	347.17702	190.0
[M-H]-	323.18052	190.3
[M+NH4]+	342.22162	200.3
[M+K]+	363.15096	181.5
[M+H-H2O]+	307.18506	173.9
[M+HCOO]-	369.18600	203.3
[M+CH3COO]-	383.20165	193.3
[M+Na-2H]-	345.16247	185.0
[M]+	324.18725	183.4
[M]-	324.18835	183.4

Literature stripe

literature stripe

Patent stripe

patents stripe