CID 3012295

5-[2-(11-ethyl-4-methyl-6-oxo-5h-dipyrido[[?],[?]][1,4]diazepin-8-yl)ethoxy]-1,4-dihydro-3,1-benzoxazin-2-one

Structural Information

Molecular Formula
C24H23N5O4
SMILES
CCN1C2=C(C=C(C=N2)CCOC3=CC=CC4=C3COC(=O)N4)C(=O)NC5=C(C=CN=C51)C
InChI
InChI=1S/C24H23N5O4/c1-3-29-21-16(23(30)28-20-14(2)7-9-25-22(20)29)11-15(12-26-21)8-10-32-19-6-4-5-18-17(19)13-33-24(31)27-18/h4-7,9,11-12H,3,8,10,13H2,1-2H3,(H,27,31)(H,28,30)
InChIKey
SJLOMIAVCWMXDI-UHFFFAOYSA-N
Compound name
5-[2-(2-ethyl-7-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-13-yl)ethoxy]-1,4-dihydro-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.17502 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.18230 214.7
[M+Na]+ 468.16424 223.1
[M-H]- 444.16774 216.9
[M+NH4]+ 463.20884 217.1
[M+K]+ 484.13818 220.0
[M+H-H2O]+ 428.17228 201.2
[M+HCOO]- 490.17322 220.6
[M+CH3COO]- 504.18887 219.9
[M+Na-2H]- 466.14969 216.9
[M]+ 445.17447 212.4
[M]- 445.17557 212.4
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.