CID 9156589

2-(4-amino-6-(phenylamino)-1,3,5-triazin-2-yl)acetonitrile

Structural Information

Molecular Formula

C₁₁H₁₀N₆

SMILES

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

InChI

InChI=1S/C11H10N6/c12-7-6-9-15-10(13)17-11(16-9)14-8-4-2-1-3-5-8/h1-5H,6H2,(H3,13,14,15,16,17)

InChIKey

WUDAGWKSEJVISS-UHFFFAOYSA-N

Compound name

2-(4-amino-6-anilino-1,3,5-triazin-2-yl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.0967 Da
Monoisotopic Mass: 1.2
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]+	227.103976	150.3
[M+Na]+	249.085918	159.3
[M-H]-	225.089424	150.7
[M+NH4]+	244.130523	161.3
[M+K]+	265.059858	154.5
[M+H-H2O]+	209.093960	133.6
[M+HCOO]-	271.094901	168.6
[M+CH3COO]-	285.110551	159.6
[M+Na-2H]-	247.071366	157.4
[M]+	226.09615142	142.6
[M]-	226.09724858	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe