PubChemLite - 1801343-74-7 (C21H19N7O3)

Structural Information

Molecular Formula

SMILES

C1COCCN1C2=NC3=C(O2)C=C(C=N3)NC(=O)C4=CC=CC(=N4)C5=CN=C(C=C5)N

InChI

InChI=1S/C21H19N7O3/c22-18-5-4-13(11-23-18)15-2-1-3-16(26-15)20(29)25-14-10-17-19(24-12-14)27-21(31-17)28-6-8-30-9-7-28/h1-5,10-12H,6-9H2,(H2,22,23)(H,25,29)

InChIKey

RWIMETUXCNDSLE-UHFFFAOYSA-N

Compound name

6-(6-aminopyridin-3-yl)-N-(2-morpholin-4-yl-[1,3]oxazolo[4,5-b]pyridin-6-yl)pyridine-2-carboxamide

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]+	418.16222	197.4
[M+Na]+	440.14416	204.4
[M-H]-	416.14766	205.7
[M+NH4]+	435.18876	198.8
[M+K]+	456.11810	199.5
[M+H-H2O]+	400.15220	183.9
[M+HCOO]-	462.15314	211.6
[M+CH3COO]-	476.16879	204.8
[M+Na-2H]-	438.12961	201.2
[M]+	417.15439	196.1
[M]-	417.15549	196.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

418.16222

197.4

[M+Na]+

440.14416

204.4

[M-H]-

416.14766

205.7

[M+NH4]+

435.18876

198.8

[M+K]+

456.11810

199.5

[M+H-H2O]+

400.15220

183.9

[M+HCOO]-

462.15314

211.6

[M+CH3COO]-

476.16879

204.8

[M+Na-2H]-

438.12961

201.2

[M]+

417.15439

196.1

[M]-

417.15549

196.1

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

1801343-74-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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