CID 10041987

1028307-48-3

Structural Information

Molecular Formula
C18H19N3O3
SMILES
COC1=CC=CC=C1CNCCN2C(=O)C3=CC=CC=C3NC2=O
InChI
InChI=1S/C18H19N3O3/c1-24-16-9-5-2-6-13(16)12-19-10-11-21-17(22)14-7-3-4-8-15(14)20-18(21)23/h2-9,19H,10-12H2,1H3,(H,20,23)
InChIKey
NUAJBITWGGTZCM-UHFFFAOYSA-N
Compound name
3-[2-[(2-methoxyphenyl)methylamino]ethyl]-1H-quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

325.14264 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.149916 175.4
[M+Na]+ 348.131858 184.1
[M-H]- 324.135364 179.3
[M+NH4]+ 343.176463 186.8
[M+K]+ 364.105798 177.9
[M+H-H2O]+ 308.139900 165.3
[M+HCOO]- 370.140841 195.7
[M+CH3COO]- 384.156491 209.3
[M+Na-2H]- 346.117306 181.7
[M]+ 325.14209142 177.3
[M]- 325.14318858 177.3
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

patents stripe