CID 6335020

11-ethyl-10-hydroxy-2-methoxy-5-methyl-11h-dipyrido[[?],[?]]azepin-6-one

Structural Information

Molecular Formula
C16H18N3O3
SMILES
CCC1C2=C(C=CC(=N2)OC)N(C(=O)C3=C1[N+](=CC=C3)O)C
InChI
InChI=1S/C16H18N3O3/c1-4-10-14-12(7-8-13(17-14)22-3)18(2)16(20)11-6-5-9-19(21)15(10)11/h5-10,21H,4H2,1-3H3/q+1
InChIKey
WRYRDUWQKMAYCY-UHFFFAOYSA-N
Compound name
2-ethyl-15-hydroxy-5-methoxy-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

300.13483 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14211 171.5
[M+Na]+ 323.12405 181.4
[M-H]- 299.12755 174.4
[M+NH4]+ 318.16865 184.0
[M+K]+ 339.09799 176.1
[M+H-H2O]+ 283.13209 165.5
[M+HCOO]- 345.13303 186.5
[M+CH3COO]- 359.14868 199.8
[M+Na-2H]- 321.10950 178.5
[M]+ 300.13428 171.2
[M]- 300.13538 171.2
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.