CID 9579533

1-[(e)-(4-bromo-3-methyl-isothiazol-5-yl)methyleneamino]-1-methyl-thiourea

Structural Information

Molecular Formula
C7H9BrN4S2
SMILES
CC1=NSC(=C1Br)/C=N/N(C)C(=S)N
InChI
InChI=1S/C7H9BrN4S2/c1-4-6(8)5(14-11-4)3-10-12(2)7(9)13/h3H,1-2H3,(H2,9,13)/b10-3+
InChIKey
FRQBJYNMPULXBU-XCVCLJGOSA-N
Compound name
1-[(E)-(4-bromo-3-methyl-1,2-thiazol-5-yl)methylideneamino]-1-methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.9452 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.95248 139.8
[M+Na]+ 314.93442 152.3
[M-H]- 290.93792 147.3
[M+NH4]+ 309.97902 160.7
[M+K]+ 330.90836 139.3
[M+H-H2O]+ 274.94246 137.6
[M+HCOO]- 336.94340 154.6
[M+CH3COO]- 350.95905 205.2
[M+Na-2H]- 312.91987 142.0
[M]+ 291.94465 159.7
[M]- 291.94575 159.7
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.