CID 16227000

2-(2-chloropropanamido)thiophene-3-carboxamide

Structural Information

Molecular Formula
C8H9ClN2O2S
SMILES
CC(C(=O)NC1=C(C=CS1)C(=O)N)Cl
InChI
InChI=1S/C8H9ClN2O2S/c1-4(9)7(13)11-8-5(6(10)12)2-3-14-8/h2-4H,1H3,(H2,10,12)(H,11,13)
InChIKey
SUSBMDAZHNHZKS-UHFFFAOYSA-N
Compound name
2-(2-chloropropanoylamino)thiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.00732 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.01460 150.1
[M+Na]+ 254.99654 157.3
[M-H]- 231.00004 153.7
[M+NH4]+ 250.04114 170.0
[M+K]+ 270.97048 153.7
[M+H-H2O]+ 215.00458 145.1
[M+HCOO]- 277.00552 164.7
[M+CH3COO]- 291.02117 190.5
[M+Na-2H]- 252.98199 148.5
[M]+ 232.00677 151.7
[M]- 232.00787 151.7
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.