PubChemLite - Cb-5083 (C24H23N5O2)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C(C=CC=C2N1C3=NC4=C(COCC4)C(=N3)NCC5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C24H23N5O2/c1-15-12-18-17(22(25)30)8-5-9-21(18)29(15)24-27-20-10-11-31-14-19(20)23(28-24)26-13-16-6-3-2-4-7-16/h2-9,12H,10-11,13-14H2,1H3,(H2,25,30)(H,26,27,28)

InChIKey

RDALZZCKQFLGJP-UHFFFAOYSA-N

Compound name

1-[4-(benzylamino)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl]-2-methylindole-4-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]+	414.19246	201.2
[M+Na]+	436.17440	216.4
[M+NH4]+	431.21900	208.0
[M+K]+	452.14834	210.2
[M-H]-	412.17790	209.1
[M+Na-2H]-	434.15985	208.5
[M]+	413.18463	205.6
[M]-	413.18573	205.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

414.19246

201.2

[M+Na]+

436.17440

216.4

[M+NH4]+

431.21900

208.0

[M+K]+

452.14834

210.2

[M-H]-

412.17790

209.1

[M+Na-2H]-

434.15985

208.5

[M]+

413.18463

205.6

[M]-

413.18573

205.6

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

Cb-5083

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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