CID 474634

11,11-diethyl-5-methyl-dipyrido[[?],[?]]azepin-6-one

Structural Information

Molecular Formula
C17H19N3O
SMILES
CCC1(C2=C(C=CC=N2)C(=O)N(C3=C1N=CC=C3)C)CC
InChI
InChI=1S/C17H19N3O/c1-4-17(5-2)14-12(8-6-10-18-14)16(21)20(3)13-9-7-11-19-15(13)17/h6-11H,4-5H2,1-3H3
InChIKey
FKNLGOOQXYHFMQ-UHFFFAOYSA-N
Compound name
2,2-diethyl-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

0
Patents

281.1528 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16008 166.3
[M+Na]+ 304.14202 176.2
[M-H]- 280.14552 169.5
[M+NH4]+ 299.18662 182.0
[M+K]+ 320.11596 174.4
[M+H-H2O]+ 264.15006 157.1
[M+HCOO]- 326.15100 182.4
[M+CH3COO]- 340.16665 177.1
[M+Na-2H]- 302.12747 173.0
[M]+ 281.15225 166.0
[M]- 281.15335 166.0
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.