CID 154699894

Ns00117618

Structural Information

Molecular Formula
C11H12N2O2S
SMILES
C[C@@H](C1=CC2=C(S1)C=C(C=C2)O)NC(=O)N
InChI
InChI=1S/C11H12N2O2S/c1-6(13-11(12)15)9-4-7-2-3-8(14)5-10(7)16-9/h2-6,14H,1H3,(H3,12,13,15)/t6-/m0/s1
InChIKey
QAVLMIJBDWRSOJ-LURJTMIESA-N
Compound name
[(1S)-1-(6-hydroxy-1-benzothiophen-2-yl)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.06195 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06923 149.9
[M+Na]+ 259.05117 159.3
[M+NH4]+ 254.09577 157.8
[M+K]+ 275.02511 154.6
[M-H]- 235.05467 151.9
[M+Na-2H]- 257.03662 154.1
[M]+ 236.06140 151.9
[M]- 236.06250 151.9
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

No patent data available for this compound.