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]+ 307.144116 204.9
[M+Na]+ 329.126058 202.4
[M-H]- 305.129564 203.1
[M+NH4]+ 324.170663 203.2
[M+K]+ 345.099998 202.1
[M+H-H2O]+ 289.134100 194.6
[M+HCOO]- 351.135041 203.7
[M+CH3COO]- 365.150691 204.1
[M+Na-2H]- 327.111506 204.6
[M]+ 306.13629142 203.3
[M]- 306.13738858 203.3
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.