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]+ 221.074306 145.5
[M+Na]+ 243.056248 154.1
[M-H]- 219.059754 150.1
[M+NH4]+ 238.100853 166.7
[M+K]+ 259.030188 149.9
[M+H-H2O]+ 203.064290 139.6
[M+HCOO]- 265.065231 167.0
[M+CH3COO]- 279.080881 189.9
[M+Na-2H]- 241.041696 149.6
[M]+ 220.06648142 147.5
[M]- 220.06757858 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.