CID 116342

Usaf el-88

Structural Information

Molecular Formula
C11H15N3OS
SMILES
CCN=C(N)SNCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C11H15N3OS/c1-2-13-11(12)16-14-8-10(15)9-6-4-3-5-7-9/h3-7,14H,2,8H2,1H3,(H2,12,13)
InChIKey
ITPXSXIAGWAKRZ-UHFFFAOYSA-N
Compound name
(phenacylamino) N'-ethylcarbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.09358 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10086 153.6
[M+Na]+ 260.08280 161.7
[M+NH4]+ 255.12740 161.0
[M+K]+ 276.05674 154.3
[M-H]- 236.08630 156.6
[M+Na-2H]- 258.06825 158.9
[M]+ 237.09303 155.6
[M]- 237.09413 155.6
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.