CID 297301

1-(2-chloroethyl)-3-(alpha-methyl-3-thenyl)urea

Structural Information

Molecular Formula
C9H13ClN2OS
SMILES
CC(C1=CSC=C1)NC(=O)NCCCl
InChI
InChI=1S/C9H13ClN2OS/c1-7(8-2-5-14-6-8)12-9(13)11-4-3-10/h2,5-7H,3-4H2,1H3,(H2,11,12,13)
InChIKey
PJGQEELZELMSLG-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(1-thiophen-3-ylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.04372 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05100 151.4
[M+Na]+ 255.03294 159.7
[M+NH4]+ 250.07754 159.6
[M+K]+ 271.00688 153.8
[M-H]- 231.03644 153.2
[M+Na-2H]- 253.01839 155.4
[M]+ 232.04317 153.5
[M]- 232.04427 153.5
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.