CID 9903786

Tpca-1

Structural Information

Molecular Formula
C12H10FN3O2S
SMILES
C1=CC(=CC=C1C2=CC(=C(S2)NC(=O)N)C(=O)N)F
InChI
InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)
InChIKey
SAYGKHKXGCPTLX-UHFFFAOYSA-N
Compound name
2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

81
References

671
Patents

279.0478 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.05508 159.2
[M+Na]+ 302.03702 166.7
[M-H]- 278.04052 164.5
[M+NH4]+ 297.08162 176.0
[M+K]+ 318.01096 162.2
[M+H-H2O]+ 262.04506 151.1
[M+HCOO]- 324.04600 179.0
[M+CH3COO]- 338.06165 203.4
[M+Na-2H]- 300.02247 157.8
[M]+ 279.04725 156.8
[M]- 279.04835 156.8
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.