CID 71280305

Labuxtinib

Structural Information

Molecular Formula
C20H16FN5O2
SMILES
CC1=C(C=C(C=C1)C2=NOC(=N2)[C@H]3C[C@@H]3F)NC(=O)C4=CN=C5N4C=CC=C5
InChI
InChI=1S/C20H16FN5O2/c1-11-5-6-12(18-24-20(28-25-18)13-9-14(13)21)8-15(11)23-19(27)16-10-22-17-4-2-3-7-26(16)17/h2-8,10,13-14H,9H2,1H3,(H,23,27)/t13-,14-/m0/s1
InChIKey
RHNJOZCVGSBEAG-KBPBESRZSA-N
Compound name
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

377.1288 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.13608 190.2
[M+Na]+ 400.11802 202.7
[M-H]- 376.12152 200.0
[M+NH4]+ 395.16262 195.2
[M+K]+ 416.09196 195.4
[M+H-H2O]+ 360.12606 179.8
[M+HCOO]- 422.12700 210.0
[M+CH3COO]- 436.14265 200.3
[M+Na-2H]- 398.10347 190.5
[M]+ 377.12825 195.6
[M]- 377.12935 195.6
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

No patent data available for this compound.