CID 3033285

63990-68-1

Structural Information

Molecular Formula
C15H18N2OS
SMILES
CC1=CC(NC(=S)N1C2=CC=C(C=C2)C(=O)C)(C)C
InChI
InChI=1S/C15H18N2OS/c1-10-9-15(3,4)16-14(19)17(10)13-7-5-12(6-8-13)11(2)18/h5-9H,1-4H3,(H,16,19)
InChIKey
GWNDISICAKEBKR-UHFFFAOYSA-N
Compound name
1-[4-(4,6,6-trimethyl-2-sulfanylidene-1H-pyrimidin-3-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.11398 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12126 164.3
[M+Na]+ 297.10320 177.5
[M+NH4]+ 292.14780 173.1
[M+K]+ 313.07714 167.0
[M-H]- 273.10670 166.9
[M+Na-2H]- 295.08865 171.5
[M]+ 274.11343 167.5
[M]- 274.11453 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.