CID 484117

2-(3-methoxyphenyl)-2,3-dihydro-1h-quinazolin-4-one

Structural Information

Molecular Formula
C15H14N2O2
SMILES
COC1=CC=CC(=C1)C2NC3=CC=CC=C3C(=O)N2
InChI
InChI=1S/C15H14N2O2/c1-19-11-6-4-5-10(9-11)14-16-13-8-3-2-7-12(13)15(18)17-14/h2-9,14,16H,1H3,(H,17,18)
InChIKey
MHEBJZDWSJAQGY-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

254.10553 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.112806 157.9
[M+Na]+ 277.094748 165.6
[M-H]- 253.098254 160.0
[M+NH4]+ 272.139353 171.7
[M+K]+ 293.068688 159.4
[M+H-H2O]+ 237.102790 149.2
[M+HCOO]- 299.103731 173.7
[M+CH3COO]- 313.119381 168.2
[M+Na-2H]- 275.080196 163.6
[M]+ 254.10498142 153.9
[M]- 254.10607858 153.9
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