CID 17113

Drometrizole

Structural Information

Molecular Formula

C₁₃H₁₁N₃O

SMILES

CC1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2

InChI

InChI=1S/C13H11N3O/c1-9-6-7-13(17)12(8-9)16-14-10-4-2-3-5-11(10)15-16/h2-8,17H,1H3

InChIKey

MCPKSFINULVDNX-UHFFFAOYSA-N

Compound name

2-(benzotriazol-2-yl)-4-methylphenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 37
References: 69692
Patents: 225.09021 Da
Monoisotopic Mass: 4.3
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]+	226.09749	148.8
[M+Na]+	248.07943	165.3
[M+NH4]+	243.12403	157.2
[M+K]+	264.05337	159.5
[M-H]-	224.08293	152.0
[M+Na-2H]-	246.06488	158.0
[M]+	225.08966	152.2
[M]-	225.09076	152.2

Literature stripe

literature stripe

Patent stripe

patents stripe