PubChemLite - Pf-07258669 (C25H27FN6O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C=C2CC[C@@]3(CCN(C3)C(=O)[C@H](C)C4=CC(=NC=C4F)OC)NC2=N1)C5=NC=CC=N5

InChI

InChI=1S/C25H27FN6O2/c1-15(18-12-21(34-3)29-13-20(18)26)24(33)32-10-7-25(14-32)6-5-17-11-19(16(2)30-22(17)31-25)23-27-8-4-9-28-23/h4,8-9,11-13,15H,5-7,10,14H2,1-3H3,(H,30,31)/t15-,25+/m1/s1

InChIKey

PARGFYLSRQUWHR-BZQUYTCOSA-N

Compound name

(2R)-2-(5-fluoro-2-methoxypyridin-4-yl)-1-[(2S)-7-methyl-6-pyrimidin-2-ylspiro[3,4-dihydro-1H-1,8-naphthyridine-2,3'-pyrrolidine]-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]+	463.22524	212.9
[M+Na]+	485.20718	225.7
[M+NH4]+	480.25178	218.2
[M+K]+	501.18112	219.4
[M-H]-	461.21068	214.9
[M+Na-2H]-	483.19263	219.2
[M]+	462.21741	215.2
[M]-	462.21851	215.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

463.22524

212.9

[M+Na]+

485.20718

225.7

[M+NH4]+

480.25178

218.2

[M+K]+

501.18112

219.4

[M-H]-

461.21068

214.9

[M+Na-2H]-

483.19263

219.2

[M]+

462.21741

215.2

[M]-

462.21851

215.2

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

Pf-07258669

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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