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 183.3
[M+Na]+ 358.18899 190.3
[M-H]- 334.19249 188.9
[M+NH4]+ 353.23359 195.5
[M+K]+ 374.16293 184.8
[M+H-H2O]+ 318.19703 172.2
[M+HCOO]- 380.19797 204.1
[M+CH3COO]- 394.21362 218.8
[M+Na-2H]- 356.17444 188.3
[M]+ 335.19922 186.7
[M]- 335.20032 186.7
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