CID 212003

Urea, (2-(benzo(b)thien-3-yl)ethyl)-

Structural Information

Molecular Formula
C11H12N2OS
SMILES
C1=CC=C2C(=C1)C(=CS2)CCNC(=O)N
InChI
InChI=1S/C11H12N2OS/c12-11(14)13-6-5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7H,5-6H2,(H3,12,13,14)
InChIKey
PRNLVXXGFVHFTD-UHFFFAOYSA-N
Compound name
2-(1-benzothiophen-3-yl)ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 145.5
[M+Na]+ 243.05625 154.1
[M-H]- 219.05975 150.1
[M+NH4]+ 238.10085 166.7
[M+K]+ 259.03019 149.9
[M+H-H2O]+ 203.06429 139.6
[M+HCOO]- 265.06523 167.0
[M+CH3COO]- 279.08088 189.9
[M+Na-2H]- 241.04170 149.6
[M]+ 220.06648 147.5
[M]- 220.06758 147.5
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.