CID 3068407

Brn 4595666

Structural Information

Molecular Formula
C23H25N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=O)N2CC(=O)N4CCCC4
InChI
InChI=1S/C23H25N3O5/c1-29-18-12-15(13-19(30-2)21(18)31-3)22-24-17-9-5-4-8-16(17)23(28)26(22)14-20(27)25-10-6-7-11-25/h4-5,8-9,12-13H,6-7,10-11,14H2,1-3H3
InChIKey
DURHWVXTPPVFFM-UHFFFAOYSA-N
Compound name
3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.1794 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.18668 201.8
[M+Na]+ 446.16862 209.4
[M-H]- 422.17212 208.9
[M+NH4]+ 441.21322 210.1
[M+K]+ 462.14256 205.0
[M+H-H2O]+ 406.17666 190.3
[M+HCOO]- 468.17760 217.9
[M+CH3COO]- 482.19325 227.5
[M+Na-2H]- 444.15407 200.4
[M]+ 423.17885 206.5
[M]- 423.17995 206.5
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

No patent data available for this compound.