PubChemLite - Apilimod (C23H26N6O2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=CC=C1)/C=N/NC2=CC(=NC(=N2)OCCC3=CC=CC=N3)N4CCOCC4

InChI

InChI=1S/C23H26N6O2/c1-18-5-4-6-19(15-18)17-25-28-21-16-22(29-10-13-30-14-11-29)27-23(26-21)31-12-8-20-7-2-3-9-24-20/h2-7,9,15-17H,8,10-14H2,1H3,(H,26,27,28)/b25-17+

InChIKey

HSKAZIJJKRAJAV-KOEQRZSOSA-N

Compound name

N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine

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]+	419.21901	203.8
[M+Na]+	441.20095	218.5
[M+NH4]+	436.24555	209.3
[M+K]+	457.17489	209.9
[M-H]-	417.20445	212.4
[M+Na-2H]-	439.18640	214.2
[M]+	418.21118	208.2
[M]-	418.21228	208.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

419.21901

203.8

[M+Na]+

441.20095

218.5

[M+NH4]+

436.24555

209.3

[M+K]+

457.17489

209.9

[M-H]-

417.20445

212.4

[M+Na-2H]-

439.18640

214.2

[M]+

418.21118

208.2

[M]-

418.21228

208.2

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

Apilimod

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe