PubChemLite - Dilmapimod (C23H19F3N4O3)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)F)C2=C3C=CC(=O)N(C3=NC(=N2)NC(CO)CO)C4=C(C=CC=C4F)F

InChI

InChI=1S/C23H19F3N4O3/c1-12-9-13(24)5-6-15(12)20-16-7-8-19(33)30(21-17(25)3-2-4-18(21)26)22(16)29-23(28-20)27-14(10-31)11-32/h2-9,14,31-32H,10-11H2,1H3,(H,27,28,29)

InChIKey

ORVNHOYNEHYKJG-UHFFFAOYSA-N

Compound name

8-(2,6-difluorophenyl)-2-(1,3-dihydroxypropan-2-ylamino)-4-(4-fluoro-2-methylphenyl)pyrido[2,3-d]pyrimidin-7-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]+	457.14821	211.0
[M+Na]+	479.13015	221.1
[M-H]-	455.13365	212.3
[M+NH4]+	474.17475	214.9
[M+K]+	495.10409	212.2
[M+H-H2O]+	439.13819	196.4
[M+HCOO]-	501.13913	223.0
[M+CH3COO]-	515.15478	217.4
[M+Na-2H]-	477.11560	210.6
[M]+	456.14038	209.4
[M]-	456.14148	209.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.14821

211.0

[M+Na]+

479.13015

221.1

[M-H]-

455.13365

212.3

[M+NH4]+

474.17475

214.9

[M+K]+

495.10409

212.2

[M+H-H2O]+

439.13819

196.4

[M+HCOO]-

501.13913

223.0

[M+CH3COO]-

515.15478

217.4

[M+Na-2H]-

477.11560

210.6

[M]+

456.14038

209.4

[M]-

456.14148

209.4

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

Dilmapimod

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe