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 169.8
[M+Na]+ 321.11442 175.5
[M-H]- 297.11792 174.9
[M+NH4]+ 316.15902 182.7
[M+K]+ 337.08836 170.6
[M+H-H2O]+ 281.12246 160.3
[M+HCOO]- 343.12340 186.6
[M+CH3COO]- 357.13905 210.0
[M+Na-2H]- 319.09987 171.7
[M]+ 298.12465 170.3
[M]- 298.12575 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.