CID 471869

1-(benzyloxymethyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione

Structural Information

Molecular Formula
C16H18N2O3
SMILES
C1CCC2=C(C1)C(=O)NC(=O)N2COCC3=CC=CC=C3
InChI
InChI=1S/C16H18N2O3/c19-15-13-8-4-5-9-14(13)18(16(20)17-15)11-21-10-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,17,19,20)
InChIKey
QUEDIUACQFBSOM-UHFFFAOYSA-N
Compound name
1-(phenylmethoxymethyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.13174 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 164.8
[M+Na]+ 309.12096 172.4
[M-H]- 285.12446 167.9
[M+NH4]+ 304.16556 177.7
[M+K]+ 325.09490 166.9
[M+H-H2O]+ 269.12900 155.2
[M+HCOO]- 331.12994 182.0
[M+CH3COO]- 345.14559 197.6
[M+Na-2H]- 307.10641 170.3
[M]+ 286.13119 163.5
[M]- 286.13229 163.5
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.