CID 9579540

4-morpholinecarbothioic acid, [(1e)-(4-bromo-3-methyl-5-isothiazolyl)methylene]hydrazide

Structural Information

Molecular Formula
C10H13BrN4OS2
SMILES
CC1=NSC(=C1Br)/C=N/NC(=S)N2CCOCC2
InChI
InChI=1S/C10H13BrN4OS2/c1-7-9(11)8(18-14-7)6-12-13-10(17)15-2-4-16-5-3-15/h6H,2-5H2,1H3,(H,13,17)/b12-6+
InChIKey
FRMRBMYTKKCANY-WUXMJOGZSA-N
Compound name
N-[(E)-(4-bromo-3-methyl-1,2-thiazol-5-yl)methylideneamino]morpholine-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.9714 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.97868 153.1
[M+Na]+ 370.96062 164.1
[M-H]- 346.96412 161.3
[M+NH4]+ 366.00522 169.5
[M+K]+ 386.93456 151.9
[M+H-H2O]+ 330.96866 152.0
[M+HCOO]- 392.96960 163.2
[M+CH3COO]- 406.98525 207.1
[M+Na-2H]- 368.94607 155.7
[M]+ 347.97085 171.2
[M]- 347.97195 171.2
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.