CID 63750

20866-11-9

Structural Information

Molecular Formula
C21H23N3O3
SMILES
CC1=CC=CC=C1N2CN(C3=CC=CC=C3C2=O)C(=O)CN4CCOCC4
InChI
InChI=1S/C21H23N3O3/c1-16-6-2-4-8-18(16)24-15-23(19-9-5-3-7-17(19)21(24)26)20(25)14-22-10-12-27-13-11-22/h2-9H,10-15H2,1H3
InChIKey
HDXXCFTWSYEIMJ-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)-1-(2-morpholin-4-ylacetyl)-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.17395 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.18123 190.5
[M+Na]+ 388.16317 195.3
[M-H]- 364.16667 196.1
[M+NH4]+ 383.20777 197.3
[M+K]+ 404.13711 190.8
[M+H-H2O]+ 348.17121 177.9
[M+HCOO]- 410.17215 200.9
[M+CH3COO]- 424.18780 197.9
[M+Na-2H]- 386.14862 191.4
[M]+ 365.17340 186.3
[M]- 365.17450 186.3
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.