CID 122173820

Atelocantel

Structural Information

Molecular Formula
C13H17F2N3O2
SMILES
CC(/C=C/C(=O)NCCNC1=CC(=NC=C1)OC)(F)F
InChI
InChI=1S/C13H17F2N3O2/c1-13(14,15)5-3-11(19)17-8-7-16-10-4-6-18-12(9-10)20-2/h3-6,9H,7-8H2,1-2H3,(H,16,18)(H,17,19)/b5-3+
InChIKey
UESQHGVVIKYBST-HWKANZROSA-N
Compound name
(E)-4,4-difluoro-N-[2-[(2-methoxy-4-pyridinyl)amino]ethyl]pent-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

285.12888 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.136156 164.2
[M+Na]+ 308.118098 169.9
[M-H]- 284.121604 163.4
[M+NH4]+ 303.162703 177.9
[M+K]+ 324.092038 166.6
[M+H-H2O]+ 268.126140 154.6
[M+HCOO]- 330.127081 184.3
[M+CH3COO]- 344.142731 204.7
[M+Na-2H]- 306.103546 168.6
[M]+ 285.12833142 162.7
[M]- 285.12942858 162.7
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

patents stripe