1863952-15-1 (C24H24N6O)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C(C=CC=C2N1C3=NC4=C(CCCN4)C(=N3)NCC5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C24H24N6O/c1-15-13-19-17(21(25)31)9-5-11-20(19)30(15)24-28-22-18(10-6-12-26-22)23(29-24)27-14-16-7-3-2-4-8-16/h2-5,7-9,11,13H,6,10,12,14H2,1H3,(H2,25,31)(H2,26,27,28,29)

InChIKey

XDHFSLWWYBVSLN-UHFFFAOYSA-N

Compound name

1-[4-(benzylamino)-5,6,7,8-tetrahydropyrido[2,3-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]+	413.208446	198.4
[M+Na]+	435.190388	205.4
[M-H]-	411.193894	203.3
[M+NH4]+	430.234993	205.2
[M+K]+	451.164328	196.4
[M+H-H2O]+	395.198430	186.3
[M+HCOO]-	457.199371	213.1
[M+CH3COO]-	471.215021	205.4
[M+Na-2H]-	433.175836	201.4
[M]+	412.20062142	195.4
[M]-	412.20171858	195.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

413.208446

198.4

[M+Na]+

435.190388

205.4

[M-H]-

411.193894

203.3

[M+NH4]+

430.234993

205.2

[M+K]+

451.164328

196.4

[M+H-H2O]+

395.198430

186.3

[M+HCOO]-

457.199371

213.1

[M+CH3COO]-

471.215021

205.4

[M+Na-2H]-

433.175836

201.4

[M]+

412.20062142

195.4

[M]-

412.20171858

195.4

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

1863952-15-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe