PubChemLite - Pf-04979064 (C24H26N6O3)

Structural Information

Molecular Formula

SMILES

CC1=NC=C(C=C1)C2=NC3=C4C(=CN=C3C=C2)N(C(=O)N4C5CCN(CC5)C(=O)[C@H](C)O)C

InChI

InChI=1S/C24H26N6O3/c1-14-4-5-16(12-25-14)18-6-7-19-21(27-18)22-20(13-26-19)28(3)24(33)30(22)17-8-10-29(11-9-17)23(32)15(2)31/h4-7,12-13,15,17,31H,8-11H2,1-3H3/t15-/m0/s1

InChIKey

GACQNUHFDBEIQH-HNNXBMFYSA-N

Compound name

1-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-8-(6-methylpyridin-3-yl)imidazo[4,5-c][1,5]naphthyridin-2-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]+	447.21391	212.8
[M+Na]+	469.19585	221.5
[M-H]-	445.19935	216.1
[M+NH4]+	464.24045	216.3
[M+K]+	485.16979	213.5
[M+H-H2O]+	429.20389	200.0
[M+HCOO]-	491.20483	220.9
[M+CH3COO]-	505.22048	218.8
[M+Na-2H]-	467.18130	210.8
[M]+	446.20608	213.2
[M]-	446.20718	213.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.21391

212.8

[M+Na]+

469.19585

221.5

[M-H]-

445.19935

216.1

[M+NH4]+

464.24045

216.3

[M+K]+

485.16979

213.5

[M+H-H2O]+

429.20389

200.0

[M+HCOO]-

491.20483

220.9

[M+CH3COO]-

505.22048

218.8

[M+Na-2H]-

467.18130

210.8

[M]+

446.20608

213.2

[M]-

446.20718

213.2

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

Pf-04979064

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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