CID 3057241

Hpt 916

Structural Information

Molecular Formula
C19H24N4O
SMILES
CCN(CC)CCN1C(NC(=O)C2=CC=CC=C21)C3=CC=CC=N3
InChI
InChI=1S/C19H24N4O/c1-3-22(4-2)13-14-23-17-11-6-5-9-15(17)19(24)21-18(23)16-10-7-8-12-20-16/h5-12,18H,3-4,13-14H2,1-2H3,(H,21,24)
InChIKey
VBXYQAZHFCROFS-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethyl]-2-pyridin-2-yl-2,3-dihydroquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.195 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.20228 180.6
[M+Na]+ 347.18422 186.1
[M-H]- 323.18772 183.1
[M+NH4]+ 342.22882 191.0
[M+K]+ 363.15816 180.4
[M+H-H2O]+ 307.19226 169.4
[M+HCOO]- 369.19320 196.4
[M+CH3COO]- 383.20885 213.8
[M+Na-2H]- 345.16967 184.4
[M]+ 324.19445 179.2
[M]- 324.19555 179.2
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.