CID 49767421

Schembl12633817

Structural Information

Molecular Formula
C16H19N3OS
SMILES
CN(C)C1=NC(=NC(=C1)C=C)SCC2=CC=C(C=C2)OC
InChI
InChI=1S/C16H19N3OS/c1-5-13-10-15(19(2)3)18-16(17-13)21-11-12-6-8-14(20-4)9-7-12/h5-10H,1,11H2,2-4H3
InChIKey
ZBLUXKPBGJTRFJ-UHFFFAOYSA-N
Compound name
6-ethenyl-2-[(4-methoxyphenyl)methylsulfanyl]-N,N-dimethylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

301.12488 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13216 169.8
[M+Na]+ 324.11410 178.2
[M-H]- 300.11760 175.5
[M+NH4]+ 319.15870 183.5
[M+K]+ 340.08804 173.5
[M+H-H2O]+ 284.12214 160.4
[M+HCOO]- 346.12308 187.6
[M+CH3COO]- 360.13873 209.8
[M+Na-2H]- 322.09955 171.6
[M]+ 301.12433 175.1
[M]- 301.12543 175.1
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.