CID 63197

Hpt 909

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]+ 297.170976 171.8
[M+Na]+ 319.152918 178.3
[M-H]- 295.156424 174.7
[M+NH4]+ 314.197523 183.4
[M+K]+ 335.126858 172.9
[M+H-H2O]+ 279.160960 161.1
[M+HCOO]- 341.161901 188.3
[M+CH3COO]- 355.177551 181.2
[M+Na-2H]- 317.138366 176.7
[M]+ 296.16315142 169.8
[M]- 296.16424858 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.