CID 3077166

Rs-7102

Structural Information

Molecular Formula
C20H24N2O2
SMILES
CN(C)C1CC2=C3C4C1CCCC4CC(=O)N3C5=C2C(=CC=C5)O
InChI
InChI=1S/C20H24N2O2/c1-21(2)15-10-13-19-14(7-4-8-16(19)23)22-17(24)9-11-5-3-6-12(15)18(11)20(13)22/h4,7-8,11-12,15,18,23H,3,5-6,9-10H2,1-2H3
InChIKey
COMJKRPIZQLNST-UHFFFAOYSA-N
Compound name
10-(dimethylamino)-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
1
Annotation Hits

0
References

0
Patents

324.18378 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.19106 175.0
[M+Na]+ 347.17300 181.3
[M-H]- 323.17650 178.6
[M+NH4]+ 342.21760 193.8
[M+K]+ 363.14694 176.2
[M+H-H2O]+ 307.18104 167.0
[M+HCOO]- 369.18198 187.1
[M+CH3COO]- 383.19763 184.5
[M+Na-2H]- 345.15845 177.3
[M]+ 324.18323 174.2
[M]- 324.18433 174.2
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.