CID 59208439

5-bromo-2-(3-ethylureido)pyridine-4-carbothioamide

Structural Information

Molecular Formula
C9H11BrN4OS
SMILES
CCNC(=O)NC1=NC=C(C(=C1)C(=S)N)Br
InChI
InChI=1S/C9H11BrN4OS/c1-2-12-9(15)14-7-3-5(8(11)16)6(10)4-13-7/h3-4H,2H2,1H3,(H2,11,16)(H2,12,13,14,15)
InChIKey
XPEVBTGDULRIRX-UHFFFAOYSA-N
Compound name
1-(5-bromo-4-carbamothioylpyridin-2-yl)-3-ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

301.9837 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.99098 147.3
[M+Na]+ 324.97292 147.0
[M+NH4]+ 320.01752 150.4
[M+K]+ 340.94686 147.6
[M-H]- 300.97642 147.6
[M+Na-2H]- 322.95837 149.2
[M]+ 301.98315 146.1
[M]- 301.98425 146.1
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

patents stripe