PubChemLite - Schembl831540 (C26H22FN5O)

Structural Information

Molecular Formula

SMILES

C1CCN2C(=NC3=C2C=CC(=C3)NC(=O)C4=CC5=C(N4CC6=CC=NC=C6)C=CC(=C5)F)C1

InChI

InChI=1S/C26H22FN5O/c27-19-4-6-22-18(13-19)14-24(32(22)16-17-8-10-28-11-9-17)26(33)29-20-5-7-23-21(15-20)30-25-3-1-2-12-31(23)25/h4-11,13-15H,1-3,12,16H2,(H,29,33)

InChIKey

NFRFMCDNQXJWRI-UHFFFAOYSA-N

Compound name

5-fluoro-1-(pyridin-4-ylmethyl)-N-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-7-yl)indole-2-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]+	440.18813	203.0
[M+Na]+	462.17007	212.2
[M-H]-	438.17357	210.1
[M+NH4]+	457.21467	212.6
[M+K]+	478.14401	203.1
[M+H-H2O]+	422.17811	190.1
[M+HCOO]-	484.17905	218.8
[M+CH3COO]-	498.19470	211.1
[M+Na-2H]-	460.15552	204.4
[M]+	439.18030	203.7
[M]-	439.18140	203.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

440.18813

203.0

[M+Na]+

462.17007

212.2

[M-H]-

438.17357

210.1

[M+NH4]+

457.21467

212.6

[M+K]+

478.14401

203.1

[M+H-H2O]+

422.17811

190.1

[M+HCOO]-

484.17905

218.8

[M+CH3COO]-

498.19470

211.1

[M+Na-2H]-

460.15552

204.4

[M]+

439.18030

203.7

[M]-

439.18140

203.7

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

Schembl831540

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe