CID 3069712

Piperidine, 1-((2-((2-chlorophenoxy)methyl)-4-oxo-3(4h)-quinazolinyl)acetyl)-

Structural Information

Molecular Formula
C22H22ClN3O3
SMILES
C1CCN(CC1)C(=O)CN2C(=NC3=CC=CC=C3C2=O)COC4=CC=CC=C4Cl
InChI
InChI=1S/C22H22ClN3O3/c23-17-9-3-5-11-19(17)29-15-20-24-18-10-4-2-8-16(18)22(28)26(20)14-21(27)25-12-6-1-7-13-25/h2-5,8-11H,1,6-7,12-15H2
InChIKey
SIFALHKAEKTFMA-UHFFFAOYSA-N
Compound name
2-[(2-chlorophenoxy)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.13498 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.14226 197.4
[M+Na]+ 434.12420 204.0
[M-H]- 410.12770 202.6
[M+NH4]+ 429.16880 204.6
[M+K]+ 450.09814 196.8
[M+H-H2O]+ 394.13224 184.8
[M+HCOO]- 456.13318 206.5
[M+CH3COO]- 470.14883 204.8
[M+Na-2H]- 432.10965 199.1
[M]+ 411.13443 198.0
[M]- 411.13553 198.0
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.