CID 3012288

6h-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one, 11-ethyl-5,11-dihydro-5-methyl-8-[2-[(1,2,3,4-tetrahydro-1,3-dimethyl-2-oxo-6-quinazolinyl)oxy]ethyl]-

Structural Information

Molecular Formula
C26H28N6O3
SMILES
CCN1C2=C(C=CC=N2)N(C(=O)C3=C1N=CC(=C3)CCOC4=CC5=C(C=C4)N(C(=O)N(C5)C)C)C
InChI
InChI=1S/C26H28N6O3/c1-5-32-23-20(25(33)30(3)22-7-6-11-27-24(22)32)13-17(15-28-23)10-12-35-19-8-9-21-18(14-19)16-29(2)26(34)31(21)4/h6-9,11,13-15H,5,10,12,16H2,1-4H3
InChIKey
XFPLQMDEQDPUIO-UHFFFAOYSA-N
Compound name
13-[2-[(1,3-dimethyl-2-oxo-4H-quinazolin-6-yl)oxy]ethyl]-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[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

472.2223 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.22958 227.8
[M+Na]+ 495.21152 237.7
[M-H]- 471.21502 230.7
[M+NH4]+ 490.25612 230.8
[M+K]+ 511.18546 233.5
[M+H-H2O]+ 455.21956 212.7
[M+HCOO]- 517.22050 234.9
[M+CH3COO]- 531.23615 232.9
[M+Na-2H]- 493.19697 227.7
[M]+ 472.22175 228.3
[M]- 472.22285 228.3
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.