CID 6335019

11-ethyl-10-hydroxy-5-methyl-11h-dipyrido[[?],[?]]azepin-6-one

Structural Information

Molecular Formula
C15H16N3O2
SMILES
CCC1C2=C(C=CC=N2)N(C(=O)C3=C1[N+](=CC=C3)O)C
InChI
InChI=1S/C15H16N3O2/c1-3-10-13-12(7-4-8-16-13)17(2)15(19)11-6-5-9-18(20)14(10)11/h4-10,20H,3H2,1-2H3/q+1
InChIKey
BHTXGXLSCVSTNT-UHFFFAOYSA-N
Compound name
2-ethyl-15-hydroxy-9-methyl-4,9-diaza-15-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.12424 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.13152 163.6
[M+Na]+ 293.11346 173.4
[M-H]- 269.11696 166.3
[M+NH4]+ 288.15806 177.2
[M+K]+ 309.08740 167.4
[M+H-H2O]+ 253.12150 157.9
[M+HCOO]- 315.12244 178.9
[M+CH3COO]- 329.13809 193.9
[M+Na-2H]- 291.09891 171.8
[M]+ 270.12369 161.3
[M]- 270.12479 161.3
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.