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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 172.3
[M+Na]+ 331.14169 178.1
[M-H]- 307.14519 175.3
[M+NH4]+ 326.18629 188.6
[M+K]+ 347.11563 172.5
[M+H-H2O]+ 291.14973 163.5
[M+HCOO]- 353.15067 185.5
[M+CH3COO]- 367.16632 181.3
[M+Na-2H]- 329.12714 177.7
[M]+ 308.15192 166.8
[M]- 308.15302 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.