CID 58315432

1211443-61-6

Structural Information

Molecular Formula

C₁₄H₁₇ClN₄O

SMILES

CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)Cl

InChI

InChI=1S/C14H17ClN4O/c1-18(2)13(20)11-7-9-8-16-14(15)17-12(9)19(11)10-5-3-4-6-10/h7-8,10H,3-6H2,1-2H3

InChIKey

PMDDQOHZLBZUSO-UHFFFAOYSA-N

Compound name

2-chloro-7-cyclopentyl-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 139
Patents: 292.1091 Da
Monoisotopic Mass: 2.5
XlogP (predicted)

Profile

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]+	293.11638	163.8
[M+Na]+	315.09832	176.1
[M+NH4]+	310.14292	171.5
[M+K]+	331.07226	173.5
[M-H]-	291.10182	166.3
[M+Na-2H]-	313.08377	169.5
[M]+	292.10855	166.3
[M]-	292.10965	166.3

Literature stripe

literature stripe

Patent stripe

patents stripe