CID 300572

Mls002702066

Structural Information

Molecular Formula
C21H18N2O2
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)C3NC4=CC=CC=C4C(=O)N3
InChI
InChI=1S/C21H18N2O2/c24-21-18-11-4-5-12-19(18)22-20(23-21)16-9-6-10-17(13-16)25-14-15-7-2-1-3-8-15/h1-13,20,22H,14H2,(H,23,24)
InChIKey
UFQXXOKTNXKMSO-UHFFFAOYSA-N
Compound name
2-(3-phenylmethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

330.13684 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14412 178.8
[M+Na]+ 353.12606 184.8
[M-H]- 329.12956 183.2
[M+NH4]+ 348.17066 188.5
[M+K]+ 369.10000 176.7
[M+H-H2O]+ 313.13410 167.7
[M+HCOO]- 375.13504 193.5
[M+CH3COO]- 389.15069 187.1
[M+Na-2H]- 351.11151 183.6
[M]+ 330.13629 173.8
[M]- 330.13739 173.8
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

No patent data available for this compound.