CID 3069710

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

Structural Information

Molecular Formula
C21H21N3O3
SMILES
C1CCN(C1)C(=O)CN2C(=NC3=CC=CC=C3C2=O)COC4=CC=CC=C4
InChI
InChI=1S/C21H21N3O3/c25-20(23-12-6-7-13-23)14-24-19(15-27-16-8-2-1-3-9-16)22-18-11-5-4-10-17(18)21(24)26/h1-5,8-11H,6-7,12-15H2
InChIKey
GNIPWFNEASIYJW-UHFFFAOYSA-N
Compound name
3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(phenoxymethyl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.1583 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.16558 186.6
[M+Na]+ 386.14752 193.0
[M-H]- 362.15102 192.8
[M+NH4]+ 381.19212 196.8
[M+K]+ 402.12146 187.3
[M+H-H2O]+ 346.15556 174.9
[M+HCOO]- 408.15650 203.2
[M+CH3COO]- 422.17215 195.5
[M+Na-2H]- 384.13297 187.9
[M]+ 363.15775 186.6
[M]- 363.15885 186.6
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.