CID 95122

Wrair-zb

Structural Information

Molecular Formula

C₁₃H₁₃N₇

SMILES

CC1=CC=CC=C1C2=NC3=C(N=C(N=C3N=C2N)N)N

InChI

InChI=1S/C13H13N7/c1-6-4-2-3-5-7(6)8-10(14)18-12-9(17-8)11(15)19-13(16)20-12/h2-5H,1H3,(H6,14,15,16,18,19,20)

InChIKey

GXCOXYQKWSWCGG-UHFFFAOYSA-N

Compound name

6-(2-methylphenyl)pteridine-2,4,7-triamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 10
Patents: 267.12323 Da
Monoisotopic Mass: 1.3
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]+	268.13051	160.9
[M+Na]+	290.11245	175.2
[M+NH4]+	285.15705	167.6
[M+K]+	306.08639	169.2
[M-H]-	266.11595	165.4
[M+Na-2H]-	288.09790	168.8
[M]+	267.12268	164.0
[M]-	267.12378	164.0

Literature stripe

literature stripe

Patent stripe

patents stripe