CID 135476137

Chembl138456

Structural Information

Molecular Formula
C21H23N3O2
SMILES
CC1CCN(CC1)C2=CC3=C(C=C2)N=C(NC3=O)C4=CC(=CC=C4)OC
InChI
InChI=1S/C21H23N3O2/c1-14-8-10-24(11-9-14)16-6-7-19-18(13-16)21(25)23-20(22-19)15-4-3-5-17(12-15)26-2/h3-7,12-14H,8-11H2,1-2H3,(H,22,23,25)
InChIKey
SMLMMHUDKMIFOT-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)-6-(4-methylpiperidin-1-yl)-3H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

349.17902 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.18630 187.3
[M+Na]+ 372.16824 194.5
[M-H]- 348.17174 192.0
[M+NH4]+ 367.21284 196.1
[M+K]+ 388.14218 187.2
[M+H-H2O]+ 332.17628 175.2
[M+HCOO]- 394.17722 200.6
[M+CH3COO]- 408.19287 195.5
[M+Na-2H]- 370.15369 189.7
[M]+ 349.17847 184.0
[M]- 349.17957 184.0
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