PubChemLite - Inavolisib (C18H19F2N5O4)

Structural Information

Molecular Formula

SMILES

C[C@@H](C(=O)N)NC1=CC2=C(C=C1)C3=NC(=CN3CCO2)N4[C@@H](COC4=O)C(F)F

InChI

InChI=1S/C18H19F2N5O4/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

SGEUNORSOZVTOL-CABZTGNLSA-N

Compound name

(2S)-2-[[2-[(4S)-4-(difluoromethyl)-2-oxo-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]amino]propanamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	408.14778	192.2
[M+Na]+	430.12972	196.5
[M+NH4]+	425.17432	194.4
[M+K]+	446.10366	199.3
[M-H]-	406.13322	192.1
[M+Na-2H]-	428.11517	190.2
[M]+	407.13995	192.1
[M]-	407.14105	192.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

408.14778

192.2

[M+Na]+

430.12972

196.5

[M+NH4]+

425.17432

194.4

[M+K]+

446.10366

199.3

[M-H]-

406.13322

192.1

[M+Na-2H]-

428.11517

190.2

[M]+

407.13995

192.1

[M]-

407.14105

192.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Inavolisib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe