CID 3009482

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

Structural Information

Molecular Formula
C28H29N7O2
SMILES
CCN1C2=C(C=CC=N2)N3C(=CN=C3C4=C1N=CC(=C4)CCOC5=CC=CC6=C5CN(C(=O)N6C)C)C
InChI
InChI=1S/C28H29N7O2/c1-5-34-25-20(26-30-15-18(2)35(26)23-9-7-12-29-27(23)34)14-19(16-31-25)11-13-37-24-10-6-8-22-21(24)17-32(3)28(36)33(22)4/h6-10,12,14-16H,5,11,13,17H2,1-4H3
InChIKey
PURISZWGCNLEMR-UHFFFAOYSA-N
Compound name
5-[2-(13-ethyl-3-methyl-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]-1,3-dimethyl-4H-quinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.23828 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.24556 234.3
[M+Na]+ 518.22750 245.5
[M-H]- 494.23100 237.8
[M+NH4]+ 513.27210 238.0
[M+K]+ 534.20144 238.9
[M+H-H2O]+ 478.23554 218.8
[M+HCOO]- 540.23648 241.0
[M+CH3COO]- 554.25213 239.2
[M+Na-2H]- 516.21295 232.8
[M]+ 495.23773 236.0
[M]- 495.23883 236.0
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.