PubChemLite - Sutidiazine (C24H32FN9)

Structural Information

Molecular Formula

SMILES

C[C@@H]1CN(CCN1C)C2=CN=C(N=C2NC3=NN(C(=C3)C)C)NC4=NC(=C(C(=C4)C5CC5)F)C

InChI

InChI=1S/C24H32FN9/c1-14-10-21(31-33(14)5)28-23-19(34-9-8-32(4)15(2)13-34)12-26-24(30-23)29-20-11-18(17-6-7-17)22(25)16(3)27-20/h10-12,15,17H,6-9,13H2,1-5H3,(H2,26,27,28,29,30,31)/t15-/m1/s1

InChIKey

HKPQFVAUXAZCDY-OAHLLOKOSA-N

Compound name

2-N-(4-cyclopropyl-5-fluoro-6-methylpyridin-2-yl)-5-[(3R)-3,4-dimethylpiperazin-1-yl]-4-N-(1,5-dimethylpyrazol-3-yl)pyrimidine-2,4-diamine

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]+	466.28374	233.3
[M+Na]+	488.26568	243.1
[M-H]-	464.26918	239.3
[M+NH4]+	483.31028	229.7
[M+K]+	504.23962	230.8
[M+H-H2O]+	448.27372	219.3
[M+HCOO]-	510.27466	245.4
[M+CH3COO]-	524.29031	237.5
[M+Na-2H]-	486.25113	227.6
[M]+	465.27591	232.6
[M]-	465.27701	232.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

466.28374

233.3

[M+Na]+

488.26568

243.1

[M-H]-

464.26918

239.3

[M+NH4]+

483.31028

229.7

[M+K]+

504.23962

230.8

[M+H-H2O]+

448.27372

219.3

[M+HCOO]-

510.27466

245.4

[M+CH3COO]-

524.29031

237.5

[M+Na-2H]-

486.25113

227.6

[M]+

465.27591

232.6

[M]-

465.27701

232.6

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

Sutidiazine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe