CID 212001

Urea, (benzo(b)thien-3-ylmethyl)-

Structural Information

Molecular Formula
C10H10N2OS
SMILES
C1=CC=C2C(=C1)C(=CS2)CNC(=O)N
InChI
InChI=1S/C10H10N2OS/c11-10(13)12-5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H3,11,12,13)
InChIKey
FRTDMMCRXBWJED-UHFFFAOYSA-N
Compound name
1-benzothiophen-3-ylmethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

206.05139 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.05867 141.7
[M+Na]+ 229.04061 152.4
[M+NH4]+ 224.08521 150.9
[M+K]+ 245.01455 146.0
[M-H]- 205.04411 145.0
[M+Na-2H]- 227.02606 147.7
[M]+ 206.05084 144.4
[M]- 206.05194 144.4
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