CID 14314375

Dechlorofontonamide

Structural Information

Molecular Formula

C₂₀H₂₃NO₂

SMILES

C[C@@]1(CC[C@H]2C(=C1)C(=O)C3=C(C2(C)C)C=CC=C3NC=O)C=C

InChI

InChI=1S/C20H23NO2/c1-5-20(4)10-9-14-13(11-20)18(23)17-15(19(14,2)3)7-6-8-16(17)21-12-22/h5-8,11-12,14H,1,9-10H2,2-4H3,(H,21,22)/t14-,20-/m0/s1

InChIKey

XZRPXEKKESPHHS-XOBRGWDASA-N

Compound name

N-[(7R,10aR)-7-ethenyl-7,10,10-trimethyl-9-oxo-6,10a-dihydro-5H-anthracen-1-yl]formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 309.17288 Da
Monoisotopic Mass: 5.2
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]+	310.180156	170.8
[M+Na]+	332.162098	179.7
[M-H]-	308.165604	176.1
[M+NH4]+	327.206703	191.9
[M+K]+	348.136038	174.2
[M+H-H2O]+	292.170140	164.2
[M+HCOO]-	354.171081	188.7
[M+CH3COO]-	368.186731	212.4
[M+Na-2H]-	330.147546	175.9
[M]+	309.17233142	170.4
[M]-	309.17342858	170.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.