CID 474631

5,11-dihydro-11-ethyl-5-methyldipyrido[3,2-b:2',3'-e]azepine-6-one

Structural Information

Molecular Formula
C15H15N3O
SMILES
CCC1C2=C(C=CC=N2)C(=O)N(C3=C1N=CC=C3)C
InChI
InChI=1S/C15H15N3O/c1-3-10-13-11(6-4-8-16-13)15(19)18(2)12-7-5-9-17-14(10)12/h4-10H,3H2,1-2H3
InChIKey
ZCWYJKQOBJCWSN-UHFFFAOYSA-N
Compound name
2-ethyl-9-methyl-4,9,15-triazatricyclo[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

2
Patents

253.1215 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.12878 157.4
[M+Na]+ 276.11072 167.2
[M-H]- 252.11422 160.6
[M+NH4]+ 271.15532 172.3
[M+K]+ 292.08466 166.0
[M+H-H2O]+ 236.11876 148.8
[M+HCOO]- 298.11970 174.2
[M+CH3COO]- 312.13535 168.7
[M+Na-2H]- 274.09617 164.3
[M]+ 253.12095 156.3
[M]- 253.12205 156.3
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.