CID 24845079

4-pyrimidineethanethioamide, alpha-((dimethylamino)methylene)-6-methyl-n-phenyl-

Structural Information

Molecular Formula
C16H18N4S
SMILES
CC1=CC(=NC=N1)/C(=C/N(C)C)/C(=S)NC2=CC=CC=C2
InChI
InChI=1S/C16H18N4S/c1-12-9-15(18-11-17-12)14(10-20(2)3)16(21)19-13-7-5-4-6-8-13/h4-11H,1-3H3,(H,19,21)/b14-10-
InChIKey
RUEKPHNZYSPNMY-UVTDQMKNSA-N
Compound name
(Z)-3-(dimethylamino)-2-(6-methylpyrimidin-4-yl)-N-phenylprop-2-enethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1252 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.132476 169.8
[M+Na]+ 321.114418 175.5
[M-H]- 297.117924 174.9
[M+NH4]+ 316.159023 182.7
[M+K]+ 337.088358 170.6
[M+H-H2O]+ 281.122460 160.3
[M+HCOO]- 343.123401 186.6
[M+CH3COO]- 357.139051 210.0
[M+Na-2H]- 319.099866 171.7
[M]+ 298.12465142 170.3
[M]- 298.12574858 170.3
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.