CID 9554763

Nsc243537

Structural Information

Molecular Formula
C8H11BrN4S2
SMILES
CC1=NSC(=C1Br)/C(=N/NC(=S)NC)/C
InChI
InChI=1S/C8H11BrN4S2/c1-4-6(9)7(15-13-4)5(2)11-12-8(14)10-3/h1-3H3,(H2,10,12,14)/b11-5+
InChIKey
GKVVEJDSSBODQG-VZUCSPMQSA-N
Compound name
1-[(E)-1-(4-bromo-3-methyl-1,2-thiazol-5-yl)ethylideneamino]-3-methylthiourea
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 155.5
[M-H]- 304.95357 150.3
[M+NH4]+ 323.99467 163.8
[M+K]+ 344.92401 141.8
[M+H-H2O]+ 288.95811 141.7
[M+HCOO]- 350.95905 157.5
[M+CH3COO]- 364.97470 205.6
[M+Na-2H]- 326.93552 146.1
[M]+ 305.96030 163.1
[M]- 305.96140 163.1
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

No patent data available for this compound.