CID 757415

4460-15-5

Structural Information

Molecular Formula

C₁₀H₁₁N₅O

SMILES

COC1=CC=C(C=C1)NC2=NC=NC(=N2)N

InChI

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

InChIKey

NLFPJEGIIOQLNS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 217.09636 Da
Monoisotopic Mass: 1.5
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	146.3
[M+Na]+	240.08558	159.8
[M+NH4]+	235.13018	153.3
[M+K]+	256.05952	153.8
[M-H]-	216.08908	149.9
[M+Na-2H]-	238.07103	155.7
[M]+	217.09581	149.1
[M]-	217.09691	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe