CID 3068401

Brn 4604542

Structural Information

Molecular Formula
C25H29N3O5
SMILES
CC(C(=O)N1CCCCC1)N2C(=NC3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)OC)OC)OC
InChI
InChI=1S/C25H29N3O5/c1-16(24(29)27-12-8-5-9-13-27)28-23(26-19-11-7-6-10-18(19)25(28)30)17-14-20(31-2)22(33-4)21(15-17)32-3/h6-7,10-11,14-16H,5,8-9,12-13H2,1-4H3
InChIKey
QHCBVYHTEAEPBR-UHFFFAOYSA-N
Compound name
3-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.21072 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.21800 210.7
[M+Na]+ 474.19994 216.1
[M-H]- 450.20344 216.5
[M+NH4]+ 469.24454 215.5
[M+K]+ 490.17388 212.0
[M+H-H2O]+ 434.20798 197.7
[M+HCOO]- 496.20892 222.6
[M+CH3COO]- 510.22457 235.0
[M+Na-2H]- 472.18539 209.2
[M]+ 451.21017 213.0
[M]- 451.21127 213.0
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.