CID 752648

3-allyl-4-amino-n-(3-pyridinylmethyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxamide

Structural Information

Molecular Formula
C13H14N4OS2
SMILES
C=CCN1C(=C(SC1=S)C(=O)NCC2=CN=CC=C2)N
InChI
InChI=1S/C13H14N4OS2/c1-2-6-17-11(14)10(20-13(17)19)12(18)16-8-9-4-3-5-15-7-9/h2-5,7H,1,6,8,14H2,(H,16,18)
InChIKey
ULWXRHPFQDSCDG-UHFFFAOYSA-N
Compound name
4-amino-3-prop-2-enyl-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

306.0609 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.06818 167.1
[M+Na]+ 329.05012 176.3
[M-H]- 305.05362 171.2
[M+NH4]+ 324.09472 181.5
[M+K]+ 345.02406 168.7
[M+H-H2O]+ 289.05816 159.5
[M+HCOO]- 351.05910 180.3
[M+CH3COO]- 365.07475 204.9
[M+Na-2H]- 327.03557 165.4
[M]+ 306.06035 168.2
[M]- 306.06145 168.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.