CID 98350

27047-62-7

Structural Information

Molecular Formula
C12H15ClN2OS
SMILES
C1CSC2=CC=CC=C2C1NC(=O)NCCCl
InChI
InChI=1S/C12H15ClN2OS/c13-6-7-14-12(16)15-10-5-8-17-11-4-2-1-3-9(10)11/h1-4,10H,5-8H2,(H2,14,15,16)
InChIKey
FPMGZVWNTSTEOW-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(3,4-dihydro-2H-thiochromen-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

270.05936 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06664 156.3
[M+Na]+ 293.04858 167.1
[M+NH4]+ 288.09318 165.8
[M+K]+ 309.02252 157.6
[M-H]- 269.05208 160.1
[M+Na-2H]- 291.03403 161.9
[M]+ 270.05881 159.5
[M]- 270.05991 159.5
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

patents stripe