CID 673481

2-[(cyclopropylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Structural Information

Molecular Formula
C13H16N2O2S
SMILES
C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC3)C(=O)N
InChI
InChI=1S/C13H16N2O2S/c14-11(16)10-8-3-1-2-4-9(8)18-13(10)15-12(17)7-5-6-7/h7H,1-6H2,(H2,14,16)(H,15,17)
InChIKey
VATFNEMGBRWLHI-UHFFFAOYSA-N
Compound name
2-(cyclopropanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

92
Patents

264.09326 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.10054 150.1
[M+Na]+ 287.08248 157.1
[M-H]- 263.08598 157.2
[M+NH4]+ 282.12708 164.2
[M+K]+ 303.05642 152.4
[M+H-H2O]+ 247.09052 144.5
[M+HCOO]- 309.09146 166.4
[M+CH3COO]- 323.10711 201.3
[M+Na-2H]- 285.06793 150.4
[M]+ 264.09271 150.7
[M]- 264.09381 150.7
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