CID 71506198

Uplarafenib

Structural Information

Molecular Formula
C22H21F3N4O4S
SMILES
CCCS(=O)(=O)NC1=CC(=C(C(=C1F)C(=O)C2=CC3=NC(=CN=C3C=C2)N4CCOCC4)F)F
InChI
InChI=1S/C22H21F3N4O4S/c1-2-9-34(31,32)28-17-11-14(23)20(24)19(21(17)25)22(30)13-3-4-15-16(10-13)27-18(12-26-15)29-5-7-33-8-6-29/h3-4,10-12,28H,2,5-9H2,1H3
InChIKey
HAYBWDINAFTFCJ-UHFFFAOYSA-N
Compound name
N-[2,4,5-trifluoro-3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]propane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

494.12357 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.13085 210.5
[M+Na]+ 517.11279 219.8
[M+NH4]+ 512.15739 212.6
[M+K]+ 533.08673 213.4
[M-H]- 493.11629 210.5
[M+Na-2H]- 515.09824 213.5
[M]+ 494.12302 211.8
[M]- 494.12412 211.8
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