CID 63197

1159-89-3

Structural Information

Molecular Formula
C17H20N4O
SMILES
CN(C)CCN1C(NC(=O)C2=CC=CC=C21)C3=CC=CC=N3
InChI
InChI=1S/C17H20N4O/c1-20(2)11-12-21-15-9-4-3-7-13(15)17(22)19-16(21)14-8-5-6-10-18-14/h3-10,16H,11-12H2,1-2H3,(H,19,22)
InChIKey
OYMBJBZLKALTEW-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-2-pyridin-2-yl-2,3-dihydroquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1637 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.17098 171.8
[M+Na]+ 319.15292 178.3
[M-H]- 295.15642 174.7
[M+NH4]+ 314.19752 183.4
[M+K]+ 335.12686 172.9
[M+H-H2O]+ 279.16096 161.1
[M+HCOO]- 341.16190 188.3
[M+CH3COO]- 355.17755 181.2
[M+Na-2H]- 317.13837 176.7
[M]+ 296.16315 169.8
[M]- 296.16425 169.8
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.