PubChemLite - 959754-85-9 (C24H28N8O2)

Structural Information

Molecular Formula

SMILES

CC(C)(C)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(N4C3=NC=N4)C5=COC(=C5)C(=O)N

InChI

InChI=1S/C24H28N8O2/c1-24(2,3)31-10-8-30(9-11-31)18-6-4-17(5-7-18)29-22-23-27-15-28-32(23)19(13-26-22)16-12-20(21(25)33)34-14-16/h4-7,12-15H,8-11H2,1-3H3,(H2,25,33)(H,26,29)

InChIKey

DLGZLIXYVSQGOX-UHFFFAOYSA-N

Compound name

4-[8-[4-(4-tert-butylpiperazin-1-yl)anilino]-[1,2,4]triazolo[1,5-a]pyrazin-5-yl]furan-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]+	461.24080	207.2
[M+Na]+	483.22274	219.3
[M+NH4]+	478.26734	211.0
[M+K]+	499.19668	218.9
[M-H]-	459.22624	212.8
[M+Na-2H]-	481.20819	213.9
[M]+	460.23297	210.2
[M]-	460.23407	210.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

461.24080

207.2

[M+Na]+

483.22274

219.3

[M+NH4]+

478.26734

211.0

[M+K]+

499.19668

218.9

[M-H]-

459.22624

212.8

[M+Na-2H]-

481.20819

213.9

[M]+

460.23297

210.2

[M]-

460.23407

210.2

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

959754-85-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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