CID 145944451

Chebi:146147

Structural Information

Molecular Formula
C18H20N2O2
SMILES
C1[C@H]2CN[C@@H](CC3=CC(=C(C=C3)O)[C@H]4C=C1C=CC4=O)CN2
InChI
InChI=1S/C18H20N2O2/c21-17-3-1-11-5-13-9-20-14(10-19-13)6-12-2-4-18(22)16(8-12)15(17)7-11/h1-4,7-8,13-15,19-20,22H,5-6,9-10H2/t13-,14-,15+/m0/s1
InChIKey
SQJOHLQSELXUAP-SOUVJXGZSA-N
Compound name
(1S,7R,14S)-9-hydroxy-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),4,8,10,12(19)-pentaen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.15247 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 173.5
[M+Na]+ 319.14169 174.7
[M-H]- 295.14519 157.2
[M+NH4]+ 314.18629 185.5
[M+K]+ 335.11563 171.4
[M+H-H2O]+ 279.14973 171.6
[M+HCOO]- 341.15067 171.8
[M+CH3COO]- 355.16632 176.2
[M+Na-2H]- 317.12714 181.0
[M]+ 296.15192 167.5
[M]- 296.15302 167.5
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.