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]+ 273.12338 160.2
[M+Na]+ 295.10532 170.3
[M-H]- 271.10882 161.9
[M+NH4]+ 290.14992 175.5
[M+K]+ 311.07926 164.9
[M+H-H2O]+ 255.11336 151.8
[M+HCOO]- 317.11430 177.6
[M+CH3COO]- 331.12995 197.3
[M+Na-2H]- 293.09077 167.2
[M]+ 272.11555 161.8
[M]- 272.11665 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.