CID 11152667

Azd7762

Structural Information

Molecular Formula
C17H19FN4O2S
SMILES
C1C[C@@H](CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N
InChI
InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1
InChIKey
IAYGCINLNONXHY-LBPRGKRZSA-N
Compound name
3-(carbamoylamino)-5-(3-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

105
References

2030
Patents

362.12128 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.12856 179.5
[M+Na]+ 385.11050 185.8
[M+NH4]+ 380.15510 184.9
[M+K]+ 401.08444 181.5
[M-H]- 361.11400 182.7
[M+Na-2H]- 383.09595 184.3
[M]+ 362.12073 181.0
[M]- 362.12183 181.0
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