CID 3036523

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

Structural Information

Molecular Formula
C15H20N2O2S
SMILES
CCCCOC1=CC=C(C=C1)CN2CCC(=O)NC2=S
InChI
InChI=1S/C15H20N2O2S/c1-2-3-10-19-13-6-4-12(5-7-13)11-17-9-8-14(18)16-15(17)20/h4-7H,2-3,8-11H2,1H3,(H,16,18,20)
InChIKey
MVOAAWDCIURKPL-UHFFFAOYSA-N
Compound name
1-[(4-butoxyphenyl)methyl]-2-sulfanylidene-1,3-diazinan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

292.12454 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13182 169.0
[M+Na]+ 315.11376 180.7
[M+NH4]+ 310.15836 175.9
[M+K]+ 331.08770 171.5
[M-H]- 291.11726 171.1
[M+Na-2H]- 313.09921 173.7
[M]+ 292.12399 171.6
[M]- 292.12509 171.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.