PubChemLite - 1392421-43-0 (C23H27N7O2)

Structural Information

Molecular Formula

SMILES

C[C@@H]1COCCN1C2=NC(=NC3=C2NC(=N3)C4=C5C=CNC5=CC=C4)N6CCOC[C@H]6C

InChI

InChI=1S/C23H27N7O2/c1-14-12-31-10-8-29(14)22-19-21(27-23(28-22)30-9-11-32-13-15(30)2)26-20(25-19)17-4-3-5-18-16(17)6-7-24-18/h3-7,14-15,24H,8-13H2,1-2H3,(H,25,26,27,28)/t14-,15-/m1/s1

InChIKey

BYPBFDASESWSQG-HUUCEWRRSA-N

Compound name

(3R)-4-[8-(1H-indol-4-yl)-2-[(3R)-3-methylmorpholin-4-yl]-7H-purin-6-yl]-3-methylmorpholine

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]+	434.22991	205.6
[M+Na]+	456.21185	221.2
[M+NH4]+	451.25645	210.7
[M+K]+	472.18579	218.7
[M-H]-	432.21535	212.1
[M+Na-2H]-	454.19730	210.0
[M]+	433.22208	209.6
[M]-	433.22318	209.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

434.22991

205.6

[M+Na]+

456.21185

221.2

[M+NH4]+

451.25645

210.7

[M+K]+

472.18579

218.7

[M-H]-

432.21535

212.1

[M+Na-2H]-

454.19730

210.0

[M]+

433.22208

209.6

[M]-

433.22318

209.6

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

1392421-43-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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