PubChemLite - Apy0201 (C23H23N7O)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC=C1)/C=N/NC2=NC3=CC(=NN3C(=C2)N4CCOCC4)C5=CC=NC=C5

InChI

InChI=1S/C23H23N7O/c1-17-3-2-4-18(13-17)16-25-27-21-15-23(29-9-11-31-12-10-29)30-22(26-21)14-20(28-30)19-5-7-24-8-6-19/h2-8,13-16H,9-12H2,1H3,(H,26,27)/b25-16+

InChIKey

RFZQYGBLRIKROZ-PCLIKHOPSA-N

Compound name

N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-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]+	414.20368	199.7
[M+Na]+	436.18562	206.7
[M-H]-	412.18912	208.3
[M+NH4]+	431.23022	203.6
[M+K]+	452.15956	199.4
[M+H-H2O]+	396.19366	184.9
[M+HCOO]-	458.19460	216.8
[M+CH3COO]-	472.21025	207.3
[M+Na-2H]-	434.17107	204.4
[M]+	413.19585	198.6
[M]-	413.19695	198.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

414.20368

199.7

[M+Na]+

436.18562

206.7

[M-H]-

412.18912

208.3

[M+NH4]+

431.23022

203.6

[M+K]+

452.15956

199.4

[M+H-H2O]+

396.19366

184.9

[M+HCOO]-

458.19460

216.8

[M+CH3COO]-

472.21025

207.3

[M+Na-2H]-

434.17107

204.4

[M]+

413.19585

198.6

[M]-

413.19695

198.6

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

Apy0201

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe