CID 160263

(r)-rhazinilam

Structural Information

Molecular Formula
C19H22N2O
SMILES
CCC12CCCN3C1=C(C=C3)C4=CC=CC=C4NC(=O)CC2
InChI
InChI=1S/C19H22N2O/c1-2-19-10-5-12-21-13-9-15(18(19)21)14-6-3-4-7-16(14)20-17(22)8-11-19/h3-4,6-7,9,13H,2,5,8,10-12H2,1H3,(H,20,22)
InChIKey
VLQAFTDOIRUYSZ-UHFFFAOYSA-N
Compound name
12-ethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

73
Patents

294.17322 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 201.3
[M+Na]+ 317.16244 199.3
[M-H]- 293.16594 199.7
[M+NH4]+ 312.20704 199.9
[M+K]+ 333.13638 198.9
[M+H-H2O]+ 277.17048 191.3
[M+HCOO]- 339.17142 200.4
[M+CH3COO]- 353.18707 200.9
[M+Na-2H]- 315.14789 201.6
[M]+ 294.17267 200.0
[M]- 294.17377 200.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe