PubChemLite - Ly3009120 (C23H29FN6O)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C=C1C2=C(N=C3C(=C2)C=NC(=N3)NC)C)NC(=O)NCCC(C)(C)C)F

InChI

InChI=1S/C23H29FN6O/c1-13-9-18(24)19(29-22(31)26-8-7-23(3,4)5)11-16(13)17-10-15-12-27-21(25-6)30-20(15)28-14(17)2/h9-12H,7-8H2,1-6H3,(H2,26,29,31)(H,25,27,28,30)

InChIKey

HHCBMISMPSAZBF-UHFFFAOYSA-N

Compound name

1-(3,3-dimethylbutyl)-3-[2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl]urea

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]+	425.24596	206.2
[M+Na]+	447.22790	217.5
[M+NH4]+	442.27250	210.4
[M+K]+	463.20184	211.0
[M-H]-	423.23140	208.6
[M+Na-2H]-	445.21335	211.3
[M]+	424.23813	208.2
[M]-	424.23923	208.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.24596

206.2

[M+Na]+

447.22790

217.5

[M+NH4]+

442.27250

210.4

[M+K]+

463.20184

211.0

[M-H]-

423.23140

208.6

[M+Na-2H]-

445.21335

211.3

[M]+

424.23813

208.2

[M]-

424.23923

208.2

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

Ly3009120

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe