CID 49768112

N,n-diethyl-2-[(4-methoxyphenyl)methylsulfanyl]-6-vinyl-pyrimidin-4-amine

Structural Information

Molecular Formula
C18H23N3OS
SMILES
CCN(CC)C1=NC(=NC(=C1)C=C)SCC2=CC=C(C=C2)OC
InChI
InChI=1S/C18H23N3OS/c1-5-15-12-17(21(6-2)7-3)20-18(19-15)23-13-14-8-10-16(22-4)11-9-14/h5,8-12H,1,6-7,13H2,2-4H3
InChIKey
APBACKBKNKOUHL-UHFFFAOYSA-N
Compound name
6-ethenyl-N,N-diethyl-2-[(4-methoxyphenyl)methylsulfanyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1562 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.16348 178.5
[M+Na]+ 352.14542 186.0
[M-H]- 328.14892 183.8
[M+NH4]+ 347.19002 191.0
[M+K]+ 368.11936 180.8
[M+H-H2O]+ 312.15346 168.7
[M+HCOO]- 374.15440 195.7
[M+CH3COO]- 388.17005 215.7
[M+Na-2H]- 350.13087 179.3
[M]+ 329.15565 184.5
[M]- 329.15675 184.5
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.