CID 57361094

1010120-59-8

Structural Information

Molecular Formula
C9H10BrN3O2S
SMILES
CCOC(=O)NC(=S)NC1=NC(=CC=C1)Br
InChI
InChI=1S/C9H10BrN3O2S/c1-2-15-9(14)13-8(16)12-7-5-3-4-6(10)11-7/h3-5H,2H2,1H3,(H2,11,12,13,14,16)
InChIKey
FKKRGXZJQLLGGN-UHFFFAOYSA-N
Compound name
ethyl N-[(6-bromopyridin-2-yl)carbamothioyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

236
Patents

302.9677 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.97498 146.1
[M+Na]+ 325.95692 146.5
[M+NH4]+ 321.00152 149.3
[M+K]+ 341.93086 146.9
[M-H]- 301.96042 145.9
[M+Na-2H]- 323.94237 148.6
[M]+ 302.96715 145.0
[M]- 302.96825 145.0
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

patents stripe