CID 15173236

3-oxo-14,15-dehydrorhazinilam

Structural Information

Molecular Formula
C19H18N2O2
SMILES
CCC12CCC(=O)NC3=CC=CC=C3C4=C1N(C=C4)C(=O)C=C2
InChI
InChI=1S/C19H18N2O2/c1-2-19-10-7-16(22)20-15-6-4-3-5-13(15)14-9-12-21(18(14)19)17(23)8-11-19/h3-6,8-9,11-12H,2,7,10H2,1H3,(H,20,22)
InChIKey
KJVWQAWQDQXSLV-UHFFFAOYSA-N
Compound name
12-ethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,13,17-hexaene-9,15-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.13684 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.14412 189.6
[M+Na]+ 329.12606 191.5
[M+NH4]+ 324.17066 190.9
[M+K]+ 345.10000 189.2
[M-H]- 305.12956 189.8
[M+Na-2H]- 327.11151 188.9
[M]+ 306.13629 190.1
[M]- 306.13739 190.1
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.