CID 19582717

N-cyclopropyl-5-(thiophen-2-yl)-1,2-oxazole-3-carboxamide

Structural Information

Molecular Formula
C11H10N2O2S
SMILES
C1CC1NC(=O)C2=NOC(=C2)C3=CC=CS3
InChI
InChI=1S/C11H10N2O2S/c14-11(12-7-3-4-7)8-6-9(15-13-8)10-2-1-5-16-10/h1-2,5-7H,3-4H2,(H,12,14)
InChIKey
SYENTKHGMVKGAQ-UHFFFAOYSA-N
Compound name
N-cyclopropyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

270
Patents

234.0463 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.053576 143.5
[M+Na]+ 257.035518 154.8
[M-H]- 233.039024 154.6
[M+NH4]+ 252.080123 157.9
[M+K]+ 273.009458 152.0
[M+H-H2O]+ 217.043560 137.3
[M+HCOO]- 279.044501 165.8
[M+CH3COO]- 293.060151 157.6
[M+Na-2H]- 255.020966 146.2
[M]+ 234.04575142 150.2
[M]- 234.04684858 150.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe