CID 3036885

Brn 4818768

Structural Information

Molecular Formula
C18H20N2O2
SMILES
C1C[C@@H]2CC(=O)N3C4=C(C5=C3[C@@H]2[C@@H](C1)[C@@H](C5)N)C(=CC=C4)O
InChI
InChI=1S/C18H20N2O2/c19-12-8-11-17-13(5-2-6-14(17)21)20-15(22)7-9-3-1-4-10(12)16(9)18(11)20/h2,5-6,9-10,12,16,21H,1,3-4,7-8,19H2/t9-,10+,12-,16+/m1/s1
InChIKey
OECDXEBJRAHXDW-HDINQQKLSA-N
Compound name
(10R,11R,15R,19S)-10-amino-6-hydroxy-1-azapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18)-tetraen-17-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

6
Patents

296.15247 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 166.1
[M+Na]+ 319.14169 173.4
[M-H]- 295.14519 168.3
[M+NH4]+ 314.18629 185.3
[M+K]+ 335.11563 167.1
[M+H-H2O]+ 279.14973 158.7
[M+HCOO]- 341.15067 177.9
[M+CH3COO]- 355.16632 175.8
[M+Na-2H]- 317.12714 169.3
[M]+ 296.15192 162.9
[M]- 296.15302 162.9
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.