CID 474637

11,11-diethyl-2-methoxy-5-methyl-dipyrido[[?],[?]]azepin-6-one

Structural Information

Molecular Formula
C18H21N3O2
SMILES
CCC1(C2=C(C=CC=N2)C(=O)N(C3=C1N=C(C=C3)OC)C)CC
InChI
InChI=1S/C18H21N3O2/c1-5-18(6-2)15-12(8-7-11-19-15)17(22)21(3)13-9-10-14(23-4)20-16(13)18/h7-11H,5-6H2,1-4H3
InChIKey
JZXZROYVVQSMOM-UHFFFAOYSA-N
Compound name
2,2-diethyl-5-methoxy-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

311.1634 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17068 173.7
[M+Na]+ 334.15262 183.9
[M-H]- 310.15612 177.1
[M+NH4]+ 329.19722 188.4
[M+K]+ 350.12656 182.8
[M+H-H2O]+ 294.16066 164.4
[M+HCOO]- 356.16160 189.6
[M+CH3COO]- 370.17725 184.3
[M+Na-2H]- 332.13807 179.4
[M]+ 311.16285 175.4
[M]- 311.16395 175.4
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.