CID 3003130

1-(ethoxymethyl)-2-thioxo-5,6-dihydrobenzo[h]quinazolin-4-one

Structural Information

Molecular Formula
C15H16N2O2S
SMILES
CCOCN1C2=C(CCC3=CC=CC=C32)C(=O)NC1=S
InChI
InChI=1S/C15H16N2O2S/c1-2-19-9-17-13-11-6-4-3-5-10(11)7-8-12(13)14(18)16-15(17)20/h3-6H,2,7-9H2,1H3,(H,16,18,20)
InChIKey
HCOIXJLFFGSNIH-UHFFFAOYSA-N
Compound name
1-(ethoxymethyl)-2-sulfanylidene-5,6-dihydrobenzo[h]quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.09326 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10054 162.3
[M+Na]+ 311.08248 172.6
[M-H]- 287.08598 163.8
[M+NH4]+ 306.12708 177.7
[M+K]+ 327.05642 166.0
[M+H-H2O]+ 271.09052 154.8
[M+HCOO]- 333.09146 174.6
[M+CH3COO]- 347.10711 173.2
[M+Na-2H]- 309.06793 166.9
[M]+ 288.09271 165.0
[M]- 288.09381 165.0
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.