PubChemLite - Leniolisib (C21H25F3N6O2)

Structural Information

Molecular Formula

SMILES

CCC(=O)N1CC[C@@H](C1)NC2=NC=NC3=C2CN(CC3)C4=CC(=C(N=C4)OC)C(F)(F)F

InChI

InChI=1S/C21H25F3N6O2/c1-3-18(31)30-6-4-13(10-30)28-19-15-11-29(7-5-17(15)26-12-27-19)14-8-16(21(22,23)24)20(32-2)25-9-14/h8-9,12-13H,3-7,10-11H2,1-2H3,(H,26,27,28)/t13-/m0/s1

InChIKey

MWKYMZXCGYXLPL-ZDUSSCGKSA-N

Compound name

1-[(3S)-3-[[6-[6-methoxy-5-(trifluoromethyl)pyridin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one

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]+	451.20638	202.4
[M+Na]+	473.18832	209.7
[M+NH4]+	468.23292	204.4
[M+K]+	489.16226	207.2
[M-H]-	449.19182	200.1
[M+Na-2H]-	471.17377	204.6
[M]+	450.19855	202.1
[M]-	450.19965	202.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

451.20638

202.4

[M+Na]+

473.18832

209.7

[M+NH4]+

468.23292

204.4

[M+K]+

489.16226

207.2

[M-H]-

449.19182

200.1

[M+Na-2H]-

471.17377

204.6

[M]+

450.19855

202.1

[M]-

450.19965

202.1

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

Leniolisib

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe