PubChemLite - Oric-944 (C26H25FN6O)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)CN(C)C)C2=CN=C(N3C2=NC(=C3)C#N)NCC4=C(C=CC5=C4CCO5)F

InChI

InChI=1S/C26H25FN6O/c1-16-10-17(14-32(2)3)4-5-19(16)22-13-30-26(33-15-18(11-28)31-25(22)33)29-12-21-20-8-9-34-24(20)7-6-23(21)27/h4-7,10,13,15H,8-9,12,14H2,1-3H3,(H,29,30)

InChIKey

FLCIOLFIDGTRCI-UHFFFAOYSA-N

Compound name

8-[4-[(dimethylamino)methyl]-2-methylphenyl]-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carbonitrile

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]+	457.21468	211.2
[M+Na]+	479.19662	222.2
[M-H]-	455.20012	216.6
[M+NH4]+	474.24122	218.4
[M+K]+	495.17056	212.8
[M+H-H2O]+	439.20466	192.2
[M+HCOO]-	501.20560	225.9
[M+CH3COO]-	515.22125	217.8
[M+Na-2H]-	477.18207	209.2
[M]+	456.20685	209.4
[M]-	456.20795	209.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.21468

211.2

[M+Na]+

479.19662

222.2

[M-H]-

455.20012

216.6

[M+NH4]+

474.24122

218.4

[M+K]+

495.17056

212.8

[M+H-H2O]+

439.20466

192.2

[M+HCOO]-

501.20560

225.9

[M+CH3COO]-

515.22125

217.8

[M+Na-2H]-

477.18207

209.2

[M]+

456.20685

209.4

[M]-

456.20795

209.4

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

Oric-944

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe