CID 3009480

5-[2-(ethyl[?]yl)ethoxy]-3,4-dihydro-1h-quinazolin-2-one

Structural Information

Molecular Formula
C25H23N7O2
SMILES
CCN1C2=C(C=CC=N2)N3C=CN=C3C4=C1N=CC(=C4)CCOC5=CC=CC6=C5CNC(=O)N6
InChI
InChI=1S/C25H23N7O2/c1-2-31-23-17(22-27-10-11-32(22)20-6-4-9-26-24(20)31)13-16(14-28-23)8-12-34-21-7-3-5-19-18(21)15-29-25(33)30-19/h3-7,9-11,13-14H,2,8,12,15H2,1H3,(H2,29,30,33)
InChIKey
WUVLSKTUICAAOY-UHFFFAOYSA-N
Compound name
5-[2-(13-ethyl-2,5,11,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7(12),8,10,15,17-octaen-9-yl)ethoxy]-3,4-dihydro-1H-quinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.1913 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.19858 215.5
[M+Na]+ 476.18052 225.1
[M-H]- 452.18402 216.4
[M+NH4]+ 471.22512 219.0
[M+K]+ 492.15446 217.7
[M+H-H2O]+ 436.18856 200.9
[M+HCOO]- 498.18950 221.0
[M+CH3COO]- 512.20515 220.1
[M+Na-2H]- 474.16597 217.7
[M]+ 453.19075 212.6
[M]- 453.19185 212.6
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.