CID 721101

6659-92-3

Structural Information

Molecular Formula

C₁₃H₁₂N₄O

SMILES

COC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)N

InChI

InChI=1S/C13H12N4O/c1-18-11-5-3-10(4-6-11)17-15-12-7-2-9(14)8-13(12)16-17/h2-8H,14H2,1H3

InChIKey

WNZKUNXGRZGIFX-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)benzotriazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 16
Patents: 240.1011 Da
Monoisotopic Mass: 2.6
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]+	241.10838	152.1
[M+Na]+	263.09032	167.5
[M+NH4]+	258.13492	160.2
[M+K]+	279.06426	162.2
[M-H]-	239.09382	155.9
[M+Na-2H]-	261.07577	161.2
[M]+	240.10055	155.4
[M]-	240.10165	155.4

Literature stripe

literature stripe

Patent stripe

patents stripe