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
1
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]+ 326.14992 175.4
[M+Na]+ 348.13186 184.1
[M-H]- 324.13536 179.3
[M+NH4]+ 343.17646 186.8
[M+K]+ 364.10580 177.9
[M+H-H2O]+ 308.13990 165.3
[M+HCOO]- 370.14084 195.7
[M+CH3COO]- 384.15649 209.3
[M+Na-2H]- 346.11731 181.7
[M]+ 325.14209 177.3
[M]- 325.14319 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