CID 3733734

88088-95-3

Structural Information

Molecular Formula

C₁₉H₁₃N₉

SMILES

C1=CC=C2C(=C1)N=NN2C(N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C19H13N9/c1-4-10-16-13(7-1)20-23-26(16)19(27-17-11-5-2-8-14(17)21-24-27)28-18-12-6-3-9-15(18)22-25-28/h1-12,19H

InChIKey

VENLCXAGJRTBFL-UHFFFAOYSA-N

Compound name

1-[bis(benzotriazol-1-yl)methyl]benzotriazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 56
Patents: 367.1294 Da
Monoisotopic Mass: 3.3
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]+	368.13668	177.2
[M+Na]+	390.11862	195.8
[M+NH4]+	385.16322	183.5
[M+K]+	406.09256	194.2
[M-H]-	366.12212	180.3
[M+Na-2H]-	388.10407	187.5
[M]+	367.12885	180.9
[M]-	367.12995	180.9

Literature stripe

literature stripe

Patent stripe

patents stripe