CID 3012279

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

Structural Information

Molecular Formula
C24H24N6O3
SMILES
CCN1C2=C(C=C(C=N2)CCOC3=CC=CC4=C3CNC(=O)N4)C(=O)NC5=C(C=CN=C51)C
InChI
InChI=1S/C24H24N6O3/c1-3-30-21-16(23(31)29-20-14(2)7-9-25-22(20)30)11-15(12-26-21)8-10-33-19-6-4-5-18-17(19)13-27-24(32)28-18/h4-7,9,11-12H,3,8,10,13H2,1-2H3,(H,29,31)(H2,27,28,32)
InChIKey
FELLFNVQVBKHMZ-UHFFFAOYSA-N
Compound name
2-ethyl-7-methyl-13-[2-[(2-oxo-3,4-dihydro-1H-quinazolin-5-yl)oxy]ethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.19098 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.19826 217.2
[M+Na]+ 467.18020 225.4
[M-H]- 443.18370 216.5
[M+NH4]+ 462.22480 219.2
[M+K]+ 483.15414 219.8
[M+H-H2O]+ 427.18824 203.4
[M+HCOO]- 489.18918 221.3
[M+CH3COO]- 503.20483 221.1
[M+Na-2H]- 465.16565 219.0
[M]+ 444.19043 212.1
[M]- 444.19153 212.1
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.