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]+ 271.11110 158.4
[M+Na]+ 293.09304 166.3
[M-H]- 269.09654 158.5
[M+NH4]+ 288.13764 173.4
[M+K]+ 309.06698 162.3
[M+H-H2O]+ 253.10108 151.1
[M+HCOO]- 315.10202 170.5
[M+CH3COO]- 329.11767 193.9
[M+Na-2H]- 291.07849 161.0
[M]+ 270.10327 161.6
[M]- 270.10437 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.