CID 710644

4231-69-0

Structural Information

Molecular Formula

C₁₄H₁₁N₃O₂

SMILES

COC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C14H11N3O2/c1-19-11-8-6-10(7-9-11)14(18)17-13-5-3-2-4-12(13)15-16-17/h2-9H,1H3

InChIKey

OKOYDWMLPIMUMO-UHFFFAOYSA-N

Compound name

benzotriazol-1-yl-(4-methoxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 18
Patents: 253.08513 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]+	254.09241	155.2
[M+Na]+	276.07435	165.9
[M-H]-	252.07785	159.8
[M+NH4]+	271.11895	170.9
[M+K]+	292.04829	161.6
[M+H-H2O]+	236.08239	145.8
[M+HCOO]-	298.08333	177.1
[M+CH3COO]-	312.09898	167.9
[M+Na-2H]-	274.05980	161.8
[M]+	253.08458	158.9
[M]-	253.08568	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe