2734204-03-4 (C22H32N6O2)

Structural Information

Molecular Formula

SMILES

CC(C)NC(=O)CN(C)C1=NC(=NC2=C1CCC2)C3=NC=CC(=C3)OCCN(C)C

InChI

InChI=1S/C22H32N6O2/c1-15(2)24-20(29)14-28(5)22-17-7-6-8-18(17)25-21(26-22)19-13-16(9-10-23-19)30-12-11-27(3)4/h9-10,13,15H,6-8,11-12,14H2,1-5H3,(H,24,29)

InChIKey

VZVRDFOJNCLLNZ-UHFFFAOYSA-N

Compound name

2-[[2-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-methylamino]-N-propan-2-ylacetamide

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]+	413.265946	202.0
[M+Na]+	435.247888	204.8
[M-H]-	411.251394	207.7
[M+NH4]+	430.292493	211.2
[M+K]+	451.221828	203.0
[M+H-H2O]+	395.255930	190.4
[M+HCOO]-	457.256871	221.4
[M+CH3COO]-	471.272521	241.0
[M+Na-2H]-	433.233336	201.8
[M]+	412.25812142	205.9
[M]-	412.25921858	205.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

413.265946

202.0

[M+Na]+

435.247888

204.8

[M-H]-

411.251394

207.7

[M+NH4]+

430.292493

211.2

[M+K]+

451.221828

203.0

[M+H-H2O]+

395.255930

190.4

[M+HCOO]-

457.256871

221.4

[M+CH3COO]-

471.272521

241.0

[M+Na-2H]-

433.233336

201.8

[M]+

412.25812142

205.9

[M]-

412.25921858

205.9

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

2734204-03-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe