PubChemLite - 651744-16-0 (C20H20N8O)

Structural Information

Molecular Formula

SMILES

CC1=CC2=CC(=CN=C2N1)NC3=NC=NN4C3=C(C(=C4)C5=NN=C(O5)C)C(C)C

InChI

InChI=1S/C20H20N8O/c1-10(2)16-15(20-27-26-12(4)29-20)8-28-17(16)19(22-9-23-28)25-14-6-13-5-11(3)24-18(13)21-7-14/h5-10H,1-4H3,(H,21,24)(H,22,23,25)

InChIKey

OOQXPATWSOGSAV-UHFFFAOYSA-N

Compound name

6-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

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]+	389.18328	192.5
[M+Na]+	411.16522	205.4
[M-H]-	387.16872	198.6
[M+NH4]+	406.20982	200.3
[M+K]+	427.13916	198.9
[M+H-H2O]+	371.17326	182.5
[M+HCOO]-	433.17420	209.1
[M+CH3COO]-	447.18985	202.3
[M+Na-2H]-	409.15067	192.0
[M]+	388.17545	199.0
[M]-	388.17655	199.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

389.18328

192.5

[M+Na]+

411.16522

205.4

[M-H]-

387.16872

198.6

[M+NH4]+

406.20982

200.3

[M+K]+

427.13916

198.9

[M+H-H2O]+

371.17326

182.5

[M+HCOO]-

433.17420

209.1

[M+CH3COO]-

447.18985

202.3

[M+Na-2H]-

409.15067

192.0

[M]+

388.17545

199.0

[M]-

388.17655

199.0

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

651744-16-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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