CID 3003360

1-[2-(5-bromo-2-thienyl)ethyl]-3-thiazol-2-yl-thiourea

Structural Information

Molecular Formula
C10H10BrN3S3
SMILES
C1=CSC(=N1)NC(=S)NCCC2=CC=C(S2)Br
InChI
InChI=1S/C10H10BrN3S3/c11-8-2-1-7(17-8)3-4-12-9(15)14-10-13-5-6-16-10/h1-2,5-6H,3-4H2,(H2,12,13,14,15)
InChIKey
RQPDATREUQWXOH-UHFFFAOYSA-N
Compound name
1-[2-(5-bromothiophen-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.92203 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.92931 146.0
[M+Na]+ 369.91125 160.6
[M-H]- 345.91475 154.6
[M+NH4]+ 364.95585 166.3
[M+K]+ 385.88519 145.5
[M+H-H2O]+ 329.91929 146.2
[M+HCOO]- 391.92023 156.9
[M+CH3COO]- 405.93588 160.5
[M+Na-2H]- 367.89670 149.2
[M]+ 346.92148 166.0
[M]- 346.92258 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.