CID 3000473

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

Structural Information

Molecular Formula
C11H16N2O3S
SMILES
C1CCC2=C(C1)C(=S)NC(=O)N2COCCO
InChI
InChI=1S/C11H16N2O3S/c14-5-6-16-7-13-9-4-2-1-3-8(9)10(17)12-11(13)15/h14H,1-7H2,(H,12,15,17)
InChIKey
SKHCBPDZIIGAJW-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-4-sulfanylidene-5,6,7,8-tetrahydroquinazolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.08817 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.09545 153.8
[M+Na]+ 279.07739 162.0
[M-H]- 255.08089 152.7
[M+NH4]+ 274.12199 168.6
[M+K]+ 295.05133 156.7
[M+H-H2O]+ 239.08543 147.2
[M+HCOO]- 301.08637 164.9
[M+CH3COO]- 315.10202 187.9
[M+Na-2H]- 277.06284 156.5
[M]+ 256.08762 154.1
[M]- 256.08872 154.1
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.