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]+ 294.12370 167.7
[M+Na]+ 316.10564 180.0
[M-H]- 292.10914 173.6
[M+NH4]+ 311.15024 182.8
[M+K]+ 332.07958 178.4
[M+H-H2O]+ 276.11368 159.6
[M+HCOO]- 338.11462 185.1
[M+CH3COO]- 352.13027 179.8
[M+Na-2H]- 314.09109 173.8
[M]+ 293.11587 170.4
[M]- 293.11697 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.