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]+ 424.186676 201.8
[M+Na]+ 446.168618 209.4
[M-H]- 422.172124 208.9
[M+NH4]+ 441.213223 210.1
[M+K]+ 462.142558 205.0
[M+H-H2O]+ 406.176660 190.3
[M+HCOO]- 468.177601 217.9
[M+CH3COO]- 482.193251 227.5
[M+Na-2H]- 444.154066 200.4
[M]+ 423.17885142 206.5
[M]- 423.17994858 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.