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]+ 297.170976 171.7
[M+Na]+ 319.152918 178.6
[M-H]- 295.156424 175.9
[M+NH4]+ 314.197523 184.0
[M+K]+ 335.126858 174.1
[M+H-H2O]+ 279.160960 160.6
[M+HCOO]- 341.161901 189.7
[M+CH3COO]- 355.177551 181.7
[M+Na-2H]- 317.138366 177.0
[M]+ 296.16315142 171.5
[M]- 296.16424858 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.