CID 63702

B 121

Structural Information

Molecular Formula
C21H25N3O
SMILES
CCN(CC)CCN1C(=NC2=CC=CC=C2C1=O)CC3=CC=CC=C3
InChI
InChI=1S/C21H25N3O/c1-3-23(4-2)14-15-24-20(16-17-10-6-5-7-11-17)22-19-13-9-8-12-18(19)21(24)25/h5-13H,3-4,14-16H2,1-2H3
InChIKey
VHTAYKCBKYZXGA-UHFFFAOYSA-N
Compound name
2-benzyl-3-[2-(diethylamino)ethyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

335.19977 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.20705 182.6
[M+Na]+ 358.18899 198.3
[M+NH4]+ 353.23359 190.6
[M+K]+ 374.16293 188.7
[M-H]- 334.19249 188.0
[M+Na-2H]- 356.17444 191.7
[M]+ 335.19922 186.5
[M]- 335.20032 186.5
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

patents stripe