PubChemLite - Schembl5115657 (C24H20FN5O2)

Structural Information

Molecular Formula

SMILES

CCOC1=NC(=NC2=C1N=C(C=C2)C3=CC4=C(C=C3)NC(=O)C4)NCC5=CC=C(C=C5)F

InChI

InChI=1S/C24H20FN5O2/c1-2-32-23-22-20(29-24(30-23)26-13-14-3-6-17(25)7-4-14)10-9-18(28-22)15-5-8-19-16(11-15)12-21(31)27-19/h3-11H,2,12-13H2,1H3,(H,27,31)(H,26,29,30)

InChIKey

VCOOUKKSGRBBNB-UHFFFAOYSA-N

Compound name

5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-1,3-dihydroindol-2-one

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]+	430.16738	203.9
[M+Na]+	452.14932	212.7
[M-H]-	428.15282	208.1
[M+NH4]+	447.19392	210.6
[M+K]+	468.12326	203.4
[M+H-H2O]+	412.15736	190.4
[M+HCOO]-	474.15830	218.0
[M+CH3COO]-	488.17395	211.1
[M+Na-2H]-	450.13477	206.2
[M]+	429.15955	203.4
[M]-	429.16065	203.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

430.16738

203.9

[M+Na]+

452.14932

212.7

[M-H]-

428.15282

208.1

[M+NH4]+

447.19392

210.6

[M+K]+

468.12326

203.4

[M+H-H2O]+

412.15736

190.4

[M+HCOO]-

474.15830

218.0

[M+CH3COO]-

488.17395

211.1

[M+Na-2H]-

450.13477

206.2

[M]+

429.15955

203.4

[M]-

429.16065

203.4

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

Schembl5115657

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe