CID 3068400

83409-00-1

Structural Information

Molecular Formula
C24H27N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=O)N2CC(=O)N4CCCCC4
InChI
InChI=1S/C24H27N3O5/c1-30-19-13-16(14-20(31-2)22(19)32-3)23-25-18-10-6-5-9-17(18)24(29)27(23)15-21(28)26-11-7-4-8-12-26/h5-6,9-10,13-14H,4,7-8,11-12,15H2,1-3H3
InChIKey
RBRISVUYLGHFER-UHFFFAOYSA-N
Compound name
3-(2-oxo-2-piperidin-1-ylethyl)-2-(3,4,5-trimethoxyphenyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.19507 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.20235 207.4
[M+Na]+ 460.18429 213.6
[M-H]- 436.18779 213.3
[M+NH4]+ 455.22889 212.9
[M+K]+ 476.15823 209.0
[M+H-H2O]+ 420.19233 194.2
[M+HCOO]- 482.19327 220.6
[M+CH3COO]- 496.20892 231.2
[M+Na-2H]- 458.16974 207.3
[M]+ 437.19452 209.9
[M]- 437.19562 209.9
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.