CID 23908

7426-35-9

Structural Information

Molecular Formula

C₁₀H₁₁N₅

SMILES

CC1=NC(=NC(=N1)NC2=CC=CC=C2)N

InChI

InChI=1S/C10H11N5/c1-7-12-9(11)15-10(13-7)14-8-5-3-2-4-6-8/h2-6H,1H3,(H3,11,12,13,14,15)

InChIKey

AMHZCJNIRZHOAJ-UHFFFAOYSA-N

Compound name

6-methyl-2-N-phenyl-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 21
Patents: 201.10144 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]+	202.10872	143.1
[M+Na]+	224.09066	157.0
[M+NH4]+	219.13526	150.6
[M+K]+	240.06460	150.5
[M-H]-	200.09416	147.1
[M+Na-2H]-	222.07611	152.9
[M]+	201.10089	146.1
[M]-	201.10199	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe