CID 212007

Urea, (2-(5-bromobenzo(b)thien-2-yl)ethyl)-

Structural Information

Molecular Formula
C11H11BrN2OS
SMILES
C1=CC2=C(C=C1Br)C=C(S2)CCNC(=O)N
InChI
InChI=1S/C11H11BrN2OS/c12-8-1-2-10-7(5-8)6-9(16-10)3-4-14-11(13)15/h1-2,5-6H,3-4H2,(H3,13,14,15)
InChIKey
XTWQZSCUCIAWMA-UHFFFAOYSA-N
Compound name
2-(5-bromo-1-benzothiophen-2-yl)ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.97754 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.98482 149.3
[M+Na]+ 320.96676 150.9
[M+NH4]+ 316.01136 154.5
[M+K]+ 336.94070 150.9
[M-H]- 296.97026 150.8
[M+Na-2H]- 318.95221 152.0
[M]+ 297.97699 149.0
[M]- 297.97809 149.0
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

No patent data available for this compound.