CID 3012284

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

Structural Information

Molecular Formula
C25H26N6O3
SMILES
CCN1C2=C(C=C(C=N2)CCOC3=CC=CC4=C3CNC(=O)N4C)C(=O)NC5=C(C=CN=C51)C
InChI
InChI=1S/C25H26N6O3/c1-4-31-22-17(24(32)29-21-15(2)8-10-26-23(21)31)12-16(13-27-22)9-11-34-20-7-5-6-19-18(20)14-28-25(33)30(19)3/h5-8,10,12-13H,4,9,11,14H2,1-3H3,(H,28,33)(H,29,32)
InChIKey
DLBOIORDTNHJSA-UHFFFAOYSA-N
Compound name
2-ethyl-7-methyl-13-[2-[(1-methyl-2-oxo-3,4-dihydroquinazolin-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

458.20663 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.213906 222.9
[M+Na]+ 481.195848 231.8
[M-H]- 457.199354 223.4
[M+NH4]+ 476.240453 225.1
[M+K]+ 497.169788 226.5
[M+H-H2O]+ 441.203890 208.6
[M+HCOO]- 503.204831 227.8
[M+CH3COO]- 517.220481 227.1
[M+Na-2H]- 479.181296 223.5
[M]+ 458.20608142 219.8
[M]- 458.20717858 219.8
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.