CID 9579535

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

Structural Information

Molecular Formula
C8H11BrN4S2
SMILES
CC1=NSC(=C1Br)/C=N/NC(=S)N(C)C
InChI
InChI=1S/C8H11BrN4S2/c1-5-7(9)6(15-12-5)4-10-11-8(14)13(2)3/h4H,1-3H3,(H,11,14)/b10-4+
InChIKey
ZAVJAGWSURPZKM-ONNFQVAWSA-N
Compound name
3-[(E)-(4-bromo-3-methyl-1,2-thiazol-5-yl)methylideneamino]-1,1-dimethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.96085 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.96813 143.8
[M+Na]+ 328.95007 156.1
[M-H]- 304.95357 151.7
[M+NH4]+ 323.99467 164.6
[M+K]+ 344.92401 143.2
[M+H-H2O]+ 288.95811 141.5
[M+HCOO]- 350.95905 158.9
[M+CH3COO]- 364.97470 208.0
[M+Na-2H]- 326.93552 146.5
[M]+ 305.96030 164.9
[M]- 305.96140 164.9
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.