CID 3069709

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

Structural Information

Molecular Formula
C21H20ClN3O3
SMILES
C1CCN(C1)C(=O)CN2C(=NC3=CC=CC=C3C2=O)COC4=CC=CC=C4Cl
InChI
InChI=1S/C21H20ClN3O3/c22-16-8-2-4-10-18(16)28-14-19-23-17-9-3-1-7-15(17)21(27)25(19)13-20(26)24-11-5-6-12-24/h1-4,7-10H,5-6,11-14H2
InChIKey
HJTUTSKWRCPAGH-UHFFFAOYSA-N
Compound name
2-[(2-chlorophenoxy)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.11932 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.12660 193.5
[M+Na]+ 420.10854 201.6
[M-H]- 396.11204 199.8
[M+NH4]+ 415.15314 203.5
[M+K]+ 436.08248 194.6
[M+H-H2O]+ 380.11658 182.2
[M+HCOO]- 442.11752 205.4
[M+CH3COO]- 456.13317 202.3
[M+Na-2H]- 418.09399 193.6
[M]+ 397.11877 196.2
[M]- 397.11987 196.2
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.