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]+ 368.19688 189.8
[M+Na]+ 390.17882 195.4
[M-H]- 366.18232 195.2
[M+NH4]+ 385.22342 200.4
[M+K]+ 406.15276 191.7
[M+H-H2O]+ 350.18686 178.9
[M+HCOO]- 412.18780 207.2
[M+CH3COO]- 426.20345 224.4
[M+Na-2H]- 388.16427 191.2
[M]+ 367.18905 192.2
[M]- 367.19015 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.