CID 76605

3147-76-0

Structural Information

Molecular Formula

C₁₆H₁₇N₃O

SMILES

CC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2

InChI

InChI=1S/C16H17N3O/c1-16(2,3)11-8-9-15(20)14(10-11)19-17-12-6-4-5-7-13(12)18-19/h4-10,20H,1-3H3

InChIKey

WXHVQMGINBSVAY-UHFFFAOYSA-N

Compound name

2-(benzotriazol-2-yl)-4-tert-butylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 18049
Patents: 267.13718 Da
Monoisotopic Mass: 5.6
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]+	268.14446	162.6
[M+Na]+	290.12640	178.1
[M+NH4]+	285.17100	170.3
[M+K]+	306.10034	172.9
[M-H]-	266.12990	165.1
[M+Na-2H]-	288.11185	171.0
[M]+	267.13663	165.7
[M]-	267.13773	165.7

Literature stripe

literature stripe

Patent stripe

patents stripe