CID 4867467

Iprymidam

Structural Information

Molecular Formula

C₇H₁₁ClN₄

SMILES

CC(C)NC1=CC(=NC(=N1)N)Cl

InChI

InChI=1S/C7H11ClN4/c1-4(2)10-6-3-5(8)11-7(9)12-6/h3-4H,1-2H3,(H3,9,10,11,12)

InChIKey

UCOIYRGMDBGBOU-UHFFFAOYSA-N

Compound name

6-chloro-4-N-propan-2-ylpyrimidine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4069
Patents: 186.06723 Da
Monoisotopic Mass: 1.9
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]+	187.07451	137.4
[M+Na]+	209.05645	149.7
[M+NH4]+	204.10105	145.2
[M+K]+	225.03039	143.9
[M-H]-	185.05995	139.4
[M+Na-2H]-	207.04190	144.0
[M]+	186.06668	139.8
[M]-	186.06778	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe