CID 3036522

4(1h)-pyrimidinone, tetrahydro-1-((4-propoxyphenyl)methyl)-2-thioxo-

Structural Information

Molecular Formula
C14H18N2O2S
SMILES
CCCOC1=CC=C(C=C1)CN2CCC(=O)NC2=S
InChI
InChI=1S/C14H18N2O2S/c1-2-9-18-12-5-3-11(4-6-12)10-16-8-7-13(17)15-14(16)19/h3-6H,2,7-10H2,1H3,(H,15,17,19)
InChIKey
FVDLXEUZLZIGDF-UHFFFAOYSA-N
Compound name
1-[(4-propoxyphenyl)methyl]-2-sulfanylidene-1,3-diazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1089 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11618 163.6
[M+Na]+ 301.09812 170.2
[M-H]- 277.10162 165.6
[M+NH4]+ 296.14272 176.8
[M+K]+ 317.07206 164.6
[M+H-H2O]+ 261.10616 155.4
[M+HCOO]- 323.10710 175.3
[M+CH3COO]- 337.12275 195.5
[M+Na-2H]- 299.08357 163.3
[M]+ 278.10835 162.4
[M]- 278.10945 162.4
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.