CID 63723

Hpt 965

Structural Information

Molecular Formula
C17H20N4O
SMILES
CN(C)CCN1CN(C(=O)C2=CC=CC=C21)C3=CN=CC=C3
InChI
InChI=1S/C17H20N4O/c1-19(2)10-11-20-13-21(14-6-5-9-18-12-14)17(22)15-7-3-4-8-16(15)20/h3-9,12H,10-11,13H2,1-2H3
InChIKey
CFABFBJBRSJGNI-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-3-pyridin-3-yl-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.1637 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.17098 171.7
[M+Na]+ 319.15292 178.6
[M-H]- 295.15642 175.9
[M+NH4]+ 314.19752 184.0
[M+K]+ 335.12686 174.1
[M+H-H2O]+ 279.16096 160.6
[M+HCOO]- 341.16190 189.7
[M+CH3COO]- 355.17755 181.7
[M+Na-2H]- 317.13837 177.0
[M]+ 296.16315 171.5
[M]- 296.16425 171.5
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.