CID 455483

1-(2-hydroxyethoxymethyl)-4-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-one

Structural Information

Molecular Formula
C12H18N2O3S
SMILES
CSC1=NC(=O)N(C2=C1CCCC2)COCCO
InChI
InChI=1S/C12H18N2O3S/c1-18-11-9-4-2-3-5-10(9)14(12(16)13-11)8-17-7-6-15/h15H,2-8H2,1H3
InChIKey
NOSGGSWBUXRPNK-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-4-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.10382 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.111096 158.4
[M+Na]+ 293.093038 166.3
[M-H]- 269.096544 158.5
[M+NH4]+ 288.137643 173.4
[M+K]+ 309.066978 162.3
[M+H-H2O]+ 253.101080 151.1
[M+HCOO]- 315.102021 170.5
[M+CH3COO]- 329.117671 193.9
[M+Na-2H]- 291.078486 161.0
[M]+ 270.10327142 161.6
[M]- 270.10436858 161.6
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.