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]+ 286.13616 164.2
[M+Na]+ 308.11810 169.9
[M-H]- 284.12160 163.4
[M+NH4]+ 303.16270 177.9
[M+K]+ 324.09204 166.6
[M+H-H2O]+ 268.12614 154.6
[M+HCOO]- 330.12708 184.3
[M+CH3COO]- 344.14273 204.7
[M+Na-2H]- 306.10355 168.6
[M]+ 285.12833 162.7
[M]- 285.12943 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