CID 10104880

171370-49-3

Structural Information

Molecular Formula
C11H12N2OS
SMILES
CC(C1=CC2=CC=CC=C2S1)NC(=O)N
InChI
InChI=1S/C11H12N2OS/c1-7(13-11(12)14)10-6-8-4-2-3-5-9(8)15-10/h2-7H,1H3,(H3,12,13,14)
InChIKey
CKVDCQYUEYONIA-UHFFFAOYSA-N
Compound name
1-(1-benzothiophen-2-yl)ethylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

21
Patents

220.06703 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.07431 146.5
[M+Na]+ 243.05625 154.7
[M-H]- 219.05975 151.3
[M+NH4]+ 238.10085 167.7
[M+K]+ 259.03019 151.2
[M+H-H2O]+ 203.06429 140.7
[M+HCOO]- 265.06523 167.0
[M+CH3COO]- 279.08088 190.7
[M+Na-2H]- 241.04170 149.5
[M]+ 220.06648 148.0
[M]- 220.06758 148.0
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

patents stripe