CID 14191208

Yucalexin p21

Structural Information

Molecular Formula

C₂₀H₃₂O₂

SMILES

CC1(C2CCC3=CC(C(CC3C2(CCC1O)C)O)(C)C=C)C

InChI

InChI=1S/C20H32O2/c1-6-19(4)12-13-7-8-15-18(2,3)16(21)9-10-20(15,5)14(13)11-17(19)22/h6,12,14-17,21-22H,1,7-11H2,2-5H3

InChIKey

BXDBZZUQTQKCEI-UHFFFAOYSA-N

Compound name

7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-2,6-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 304.24023 Da
Monoisotopic Mass: 4.2
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]+	305.247506	174.3
[M+Na]+	327.229448	180.8
[M-H]-	303.232954	176.0
[M+NH4]+	322.274053	196.6
[M+K]+	343.203388	175.5
[M+H-H2O]+	287.237490	169.3
[M+HCOO]-	349.238431	183.2
[M+CH3COO]-	363.254081	205.1
[M+Na-2H]-	325.214896	176.2
[M]+	304.23968142	168.6
[M]-	304.24077858	168.6

Literature stripe

literature stripe

Patent stripe

patents stripe