CID 63427

20887-36-9

Structural Information

Molecular Formula
C21H25N3O3
SMILES
CCN(CC)CC(=O)N1CN(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H25N3O3/c1-4-22(5-2)14-20(25)24-15-23(16-10-12-17(27-3)13-11-16)21(26)18-8-6-7-9-19(18)24/h6-13H,4-5,14-15H2,1-3H3
InChIKey
GHEGZQSRDNPIEW-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)acetyl]-3-(4-methoxyphenyl)-2H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1896 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.196876 189.8
[M+Na]+ 390.178818 195.4
[M-H]- 366.182324 195.2
[M+NH4]+ 385.223423 200.4
[M+K]+ 406.152758 191.7
[M+H-H2O]+ 350.186860 178.9
[M+HCOO]- 412.187801 207.2
[M+CH3COO]- 426.203451 224.4
[M+Na-2H]- 388.164266 191.2
[M]+ 367.18905142 192.2
[M]- 367.19014858 192.2
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.