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

1475
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

literature stripe

Patent stripe

patents stripe