CID 10351855

18620-92-3

Structural Information

Molecular Formula

C₆H₇N₅

SMILES

C1=CNC2=NC(=NC(=C21)N)N

InChI

InChI=1S/C6H7N5/c7-4-3-1-2-9-5(3)11-6(8)10-4/h1-2H,(H5,7,8,9,10,11)

InChIKey

XVTARVYKZCLFGX-UHFFFAOYSA-N

Compound name

7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 195
Patents: 149.07014 Da
Monoisotopic Mass: 0.0
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]+	150.07742	126.5
[M+Na]+	172.05936	137.7
[M-H]-	148.06286	126.3
[M+NH4]+	167.10396	145.5
[M+K]+	188.03330	133.4
[M+H-H2O]+	132.06740	119.3
[M+HCOO]-	194.06834	149.7
[M+CH3COO]-	208.08399	140.0
[M+Na-2H]-	170.04481	135.1
[M]+	149.06959	123.7
[M]-	149.07069	123.7

Literature stripe

literature stripe

Patent stripe

patents stripe