CID 72190879

Tak-915

Structural Information

Molecular Formula
C19H18F4N4O5
SMILES
COC[C@H](C1=CC(=C(C=C1)OC(F)(F)F)F)NC(=O)N2CC(=O)NC3=C2N=CC(=C3)OC
InChI
InChI=1S/C19H18F4N4O5/c1-30-9-14(10-3-4-15(12(20)5-10)32-19(21,22)23)26-18(29)27-8-16(28)25-13-6-11(31-2)7-24-17(13)27/h3-7,14H,8-9H2,1-2H3,(H,25,28)(H,26,29)/t14-/m1/s1
InChIKey
AWJSRXUQLSPAOI-CQSZACIVSA-N
Compound name
N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-methoxy-2-oxo-1,3-dihydropyrido[2,3-b]pyrazine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

20
Patents

458.12134 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.12862 197.5
[M+Na]+ 481.11056 203.0
[M+NH4]+ 476.15516 197.5
[M+K]+ 497.08450 200.7
[M-H]- 457.11406 191.8
[M+Na-2H]- 479.09601 197.5
[M]+ 458.12079 195.9
[M]- 458.12189 195.9
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