CID 99627

2227-25-0

Structural Information

Molecular Formula

C₁₀H₁₁N₇

SMILES

C1=CC=C(C=C1)N=NC2=C(N=C(N=C2N)N)N

InChI

InChI=1S/C10H11N7/c11-8-7(9(12)15-10(13)14-8)17-16-6-4-2-1-3-5-6/h1-5H,(H6,11,12,13,14,15)

InChIKey

NGELHFCRZYMVNZ-UHFFFAOYSA-N

Compound name

5-phenyldiazenylpyrimidine-2,4,6-triamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 8
Patents: 229.10759 Da
Monoisotopic Mass: 0.9
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]+	230.11487	148.2
[M+Na]+	252.09681	156.7
[M-H]-	228.10031	154.8
[M+NH4]+	247.14141	162.9
[M+K]+	268.07075	153.2
[M+H-H2O]+	212.10485	138.4
[M+HCOO]-	274.10579	177.8
[M+CH3COO]-	288.12144	206.1
[M+Na-2H]-	250.08226	156.7
[M]+	229.10704	144.8
[M]-	229.10814	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe