CID 52370

Brn 3310947

Structural Information

Molecular Formula
C13H13NO2S
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)SCCO
InChI
InChI=1S/C13H13NO2S/c15-8-9-17-13(16)14-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,15H,8-9H2,(H,14,16)
InChIKey
ONVHBHOLDWJACC-UHFFFAOYSA-N
Compound name
S-(2-hydroxyethyl) N-naphthalen-1-ylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.0667 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.07398 152.6
[M+Na]+ 270.05592 164.5
[M+NH4]+ 265.10052 161.4
[M+K]+ 286.02986 155.6
[M-H]- 246.05942 155.5
[M+Na-2H]- 268.04137 158.8
[M]+ 247.06615 155.5
[M]- 247.06725 155.5
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.