PubChemLite - Prn1371 (C26H30Cl2N6O4)

Structural Information

Molecular Formula

SMILES

CNC1=NC=C2C=C(C(=O)N(C2=N1)CCCN3CCN(CC3)C(=O)C=C)C4=C(C(=CC(=C4Cl)OC)OC)Cl

InChI

InChI=1S/C26H30Cl2N6O4/c1-5-20(35)33-11-9-32(10-12-33)7-6-8-34-24-16(15-30-26(29-2)31-24)13-17(25(34)36)21-22(27)18(37-3)14-19(38-4)23(21)28/h5,13-15H,1,6-12H2,2-4H3,(H,29,30,31)

InChIKey

PUIXMSRTTHLNKI-UHFFFAOYSA-N

Compound name

6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-(methylamino)-8-[3-(4-prop-2-enoylpiperazin-1-yl)propyl]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]+	561.17781	233.2
[M+Na]+	583.15975	248.5
[M+NH4]+	578.20435	236.4
[M+K]+	599.13369	240.2
[M-H]-	559.16325	236.1
[M+Na-2H]-	581.14520	237.2
[M]+	560.16998	236.6
[M]-	560.17108	236.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

561.17781

233.2

[M+Na]+

583.15975

248.5

[M+NH4]+

578.20435

236.4

[M+K]+

599.13369

240.2

[M-H]-

559.16325

236.1

[M+Na-2H]-

581.14520

237.2

[M]+

560.16998

236.6

[M]-

560.17108

236.6

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

Prn1371

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe