CID 484591

1-(ethoxymethyl)-5,6-dihydrobenzo[h]quinazoline-2,4-dione

Structural Information

Molecular Formula
C15H16N2O3
SMILES
CCOCN1C2=C(CCC3=CC=CC=C32)C(=O)NC1=O
InChI
InChI=1S/C15H16N2O3/c1-2-20-9-17-13-11-6-4-3-5-10(11)7-8-12(13)14(18)16-15(17)19/h3-6H,2,7-9H2,1H3,(H,16,18,19)
InChIKey
WCCIXZNARMZBSI-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-5,6-dihydrobenzo[h]quinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.1161 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.123376 160.2
[M+Na]+ 295.105318 170.3
[M-H]- 271.108824 161.9
[M+NH4]+ 290.149923 175.5
[M+K]+ 311.079258 164.9
[M+H-H2O]+ 255.113360 151.8
[M+HCOO]- 317.114301 177.6
[M+CH3COO]- 331.129951 197.3
[M+Na-2H]- 293.090766 167.2
[M]+ 272.11555142 161.8
[M]- 272.11664858 161.8
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

No patent data available for this compound.