CID 3021319

Brn 5559437

Structural Information

Molecular Formula
C14H18N2O2S
SMILES
CCOC1=CC=C(C=C1)CCN2CCC(=O)NC2=S
InChI
InChI=1S/C14H18N2O2S/c1-2-18-12-5-3-11(4-6-12)7-9-16-10-8-13(17)15-14(16)19/h3-6H,2,7-10H2,1H3,(H,15,17,19)
InChIKey
QEYRLAJIZZPJBI-UHFFFAOYSA-N
Compound name
1-[2-(4-ethoxyphenyl)ethyl]-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

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11618 164.8
[M+Na]+ 301.09812 176.6
[M+NH4]+ 296.14272 171.8
[M+K]+ 317.07206 167.7
[M-H]- 277.10162 166.9
[M+Na-2H]- 299.08357 169.7
[M]+ 278.10835 167.3
[M]- 278.10945 167.3
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.