PubChemLite - 1197958-12-5 (C26H34ClN6O2P)

Structural Information

Molecular Formula

SMILES

CN(C)C1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC

InChI

InChI=1S/C26H34ClN6O2P/c1-32(2)18-12-14-33(15-13-18)19-10-11-21(23(16-19)35-3)30-26-28-17-20(27)25(31-26)29-22-8-6-7-9-24(22)36(4,5)34/h6-11,16-18H,12-15H2,1-5H3,(H2,28,29,30,31)

InChIKey

OVDSPTSBIQCAIN-UHFFFAOYSA-N

Compound name

5-chloro-2-N-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyphenyl]-4-N-(2-dimethylphosphorylphenyl)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]+	529.22418	229.1
[M+Na]+	551.20612	241.9
[M+NH4]+	546.25072	233.9
[M+K]+	567.18006	234.5
[M-H]-	527.20962	236.6
[M+Na-2H]-	549.19157	237.7
[M]+	528.21635	233.2
[M]-	528.21745	233.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

529.22418

229.1

[M+Na]+

551.20612

241.9

[M+NH4]+

546.25072

233.9

[M+K]+

567.18006

234.5

[M-H]-

527.20962

236.6

[M+Na-2H]-

549.19157

237.7

[M]+

528.21635

233.2

[M]-

528.21745

233.2

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

1197958-12-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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