CID 327475

2400-97-7

Structural Information

Molecular Formula
C15H12N2O3
SMILES
COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=O
InChI
InChI=1S/C15H12N2O3/c1-20-11-8-6-10(7-9-11)17-14(18)12-4-2-3-5-13(12)16-15(17)19/h2-9H,1H3,(H,16,19)
InChIKey
CJAHENZRXKHXSA-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

5
Patents

268.08478 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09206 158.5
[M+Na]+ 291.07400 169.5
[M-H]- 267.07750 163.0
[M+NH4]+ 286.11860 172.7
[M+K]+ 307.04794 163.9
[M+H-H2O]+ 251.08204 149.4
[M+HCOO]- 313.08298 178.9
[M+CH3COO]- 327.09863 170.7
[M+Na-2H]- 289.05945 165.8
[M]+ 268.08423 160.1
[M]- 268.08533 160.1
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