CID 63996

Brn 5348516

Structural Information

Molecular Formula
C18H16N2O3
SMILES
COC1=CC=C(C=C1)C(=O)CCN2C=NC3=CC=CC=C3C2=O
InChI
InChI=1S/C18H16N2O3/c1-23-14-8-6-13(7-9-14)17(21)10-11-20-12-19-16-5-3-2-4-15(16)18(20)22/h2-9,12H,10-11H2,1H3
InChIKey
PYHAEMUIQKJBKD-UHFFFAOYSA-N
Compound name
3-[3-(4-methoxyphenyl)-3-oxopropyl]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1161 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.123376 171.1
[M+Na]+ 331.105318 179.9
[M-H]- 307.108824 176.1
[M+NH4]+ 326.149923 183.8
[M+K]+ 347.079258 175.0
[M+H-H2O]+ 291.113360 160.9
[M+HCOO]- 353.114301 190.9
[M+CH3COO]- 367.129951 206.0
[M+Na-2H]- 329.090766 176.8
[M]+ 308.11555142 174.4
[M]- 308.11664858 174.4
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.