CID 3036531

62554-17-0

Structural Information

Molecular Formula
C15H20N2O2S
SMILES
CCCOC1=CC=C(C=C1)CN2CC(C(=O)NC2=S)C
InChI
InChI=1S/C15H20N2O2S/c1-3-8-19-13-6-4-12(5-7-13)10-17-9-11(2)14(18)16-15(17)20/h4-7,11H,3,8-10H2,1-2H3,(H,16,18,20)
InChIKey
FUULFXAUNGJEQL-UHFFFAOYSA-N
Compound name
5-methyl-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

292.12454 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.13182 167.9
[M+Na]+ 315.11376 174.8
[M-H]- 291.11726 170.1
[M+NH4]+ 310.15836 180.8
[M+K]+ 331.08770 169.0
[M+H-H2O]+ 275.12180 159.7
[M+HCOO]- 337.12274 179.2
[M+CH3COO]- 351.13839 199.7
[M+Na-2H]- 313.09921 166.3
[M]+ 292.12399 167.5
[M]- 292.12509 167.5
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.