CID 34921

30354-91-7

Structural Information

Molecular Formula

C₁₀H₁₁N₅O

SMILES

COC1=CC=C(C=C1)C2=NC(=NC(=N2)N)N

InChI

InChI=1S/C10H11N5O/c1-16-7-4-2-6(3-5-7)8-13-9(11)15-10(12)14-8/h2-5H,1H3,(H4,11,12,13,14,15)

InChIKey

WBDWTNWLWBQFJU-UHFFFAOYSA-N

Compound name

6-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 54
Patents: 217.09636 Da
Monoisotopic Mass: 1.7
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]+	218.10364	146.8
[M+Na]+	240.08558	160.3
[M+NH4]+	235.13018	153.6
[M+K]+	256.05952	154.7
[M-H]-	216.08908	150.2
[M+Na-2H]-	238.07103	155.4
[M]+	217.09581	149.5
[M]-	217.09691	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe