CID 462251

Men 10610

Structural Information

Molecular Formula
C17H15N3O2
SMILES
CCN1C2=C(C(=O)N(C3=C1N=CC=C3)C)OC4=CC=CC=C42
InChI
InChI=1S/C17H15N3O2/c1-3-20-14-11-7-4-5-9-13(11)22-15(14)17(21)19(2)12-8-6-10-18-16(12)20/h4-10H,3H2,1-2H3
InChIKey
FGEBNWPQVUQDND-UHFFFAOYSA-N
Compound name
2-ethyl-9-methyl-12-oxa-2,4,9-triazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3(8),4,6,13,15,17-heptaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.11642 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.123696 167.7
[M+Na]+ 316.105638 180.0
[M-H]- 292.109144 173.6
[M+NH4]+ 311.150243 182.8
[M+K]+ 332.079578 178.4
[M+H-H2O]+ 276.113680 159.6
[M+HCOO]- 338.114621 185.1
[M+CH3COO]- 352.130271 179.8
[M+Na-2H]- 314.091086 173.8
[M]+ 293.11587142 170.4
[M]- 293.11696858 170.4
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

No patent data available for this compound.