CID 146267141

Vulolisib

Structural Information

Molecular Formula
C18H19F2N5O3S
SMILES
C[C@@H](C(=O)N)NC1=CC2=C(C=C1)C3=NC(=CN3CCO2)N4[C@@H](CSC4=O)C(F)F
InChI
InChI=1S/C18H19F2N5O3S/c1-9(16(21)26)22-10-2-3-11-13(6-10)28-5-4-24-7-14(23-17(11)24)25-12(15(19)20)8-29-18(25)27/h2-3,6-7,9,12,15,22H,4-5,8H2,1H3,(H2,21,26)/t9-,12-/m0/s1
InChIKey
KEEKMOIRJUWKNK-CABZTGNLSA-N
Compound name
(2S)-2-[[2-[(4R)-4-(difluoromethyl)-2-oxo-1,3-thiazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2035
Patents

423.11768 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.12496 190.8
[M+Na]+ 446.10690 194.8
[M+NH4]+ 441.15150 194.0
[M+K]+ 462.08084 195.2
[M-H]- 422.11040 190.2
[M+Na-2H]- 444.09235 189.9
[M]+ 423.11713 190.9
[M]- 423.11823 190.9
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