CID 121494069

6l0r47g0kt

Structural Information

Molecular Formula

C₁₉H₂₀N₂O₂

SMILES

C1CN([C@H]2CC3=C([C@@]1(C2)C4=CC=CC=C4)C=C(C=C3)O)C(=O)N

InChI

InChI=1S/C19H20N2O2/c20-18(23)21-9-8-19(14-4-2-1-3-5-14)12-15(21)10-13-6-7-16(22)11-17(13)19/h1-7,11,15,22H,8-10,12H2,(H2,20,23)/t15-,19-/m0/s1

InChIKey

CQBUYEUMRLNDEY-KXBFYZLASA-N

Compound name

(1S,9S)-4-hydroxy-1-phenyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 308.15247 Da
Monoisotopic Mass: 2.8
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]+	309.159746	172.3
[M+Na]+	331.141688	178.1
[M-H]-	307.145194	175.3
[M+NH4]+	326.186293	188.6
[M+K]+	347.115628	172.5
[M+H-H2O]+	291.149730	163.5
[M+HCOO]-	353.150671	185.5
[M+CH3COO]-	367.166321	181.3
[M+Na-2H]-	329.127136	177.7
[M]+	308.15192142	166.8
[M]-	308.15301858	166.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.