CID 155434855

Tinlorafenib

Structural Information

Molecular Formula
C19H19ClF2N4O3S
SMILES
CC1=C(C=CC2=C1C(=O)N(C=N2)C)NC3=C(C=CC(=C3Cl)NS(=O)(=O)CCCF)F
InChI
InChI=1S/C19H19ClF2N4O3S/c1-11-13(6-7-14-16(11)19(27)26(2)10-23-14)24-18-12(22)4-5-15(17(18)20)25-30(28,29)9-3-8-21/h4-7,10,24-25H,3,8-9H2,1-2H3
InChIKey
VVLVISDSGRHLMB-UHFFFAOYSA-N
Compound name
N-[2-chloro-3-[(3,5-dimethyl-4-oxoquinazolin-6-yl)amino]-4-fluorophenyl]-3-fluoropropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

57
Patents

456.08344 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.09072 200.8
[M+Na]+ 479.07266 212.7
[M+NH4]+ 474.11726 204.9
[M+K]+ 495.04660 204.3
[M-H]- 455.07616 201.1
[M+Na-2H]- 477.05811 205.4
[M]+ 456.08289 203.0
[M]- 456.08399 203.0
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