CID 24845079

Brn 4505414

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]+ 299.13248 168.6
[M+Na]+ 321.11442 180.5
[M+NH4]+ 316.15902 176.0
[M+K]+ 337.08836 171.9
[M-H]- 297.11792 173.0
[M+Na-2H]- 319.09987 176.9
[M]+ 298.12465 171.9
[M]- 298.12575 171.9
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.