CID 135451572

Chembl342203

Structural Information

Molecular Formula
C19H19N3O2
SMILES
COC1=CC=CC(=C1)C2=NC3=C(C=C(C=C3)N4CCCC4)C(=O)N2
InChI
InChI=1S/C19H19N3O2/c1-24-15-6-4-5-13(11-15)18-20-17-8-7-14(22-9-2-3-10-22)12-16(17)19(23)21-18/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,21,23)
InChIKey
FBZYXJFSSUBCKL-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)-6-pyrrolidin-1-yl-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

321.14774 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 176.4
[M+Na]+ 344.13696 184.6
[M-H]- 320.14046 181.9
[M+NH4]+ 339.18156 188.2
[M+K]+ 360.11090 177.7
[M+H-H2O]+ 304.14500 165.6
[M+HCOO]- 366.14594 192.9
[M+CH3COO]- 380.16159 186.2
[M+Na-2H]- 342.12241 178.6
[M]+ 321.14719 174.5
[M]- 321.14829 174.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe