CID 4086562

154594-15-7

Structural Information

Molecular Formula

C₁₀H₁₀N₄O

SMILES

CC(=O)NC1=CC=C(C=C1)N2C=NN=C2

InChI

InChI=1S/C10H10N4O/c1-8(15)13-9-2-4-10(5-3-9)14-6-11-12-7-14/h2-7H,1H3,(H,13,15)

InChIKey

RBAFMDFJFDEJBG-UHFFFAOYSA-N

Compound name

N-[4-(1,2,4-triazol-4-yl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 202.08546 Da
Monoisotopic Mass: 0.3
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]+	203.09274	143.2
[M+Na]+	225.07468	155.5
[M+NH4]+	220.11928	150.1
[M+K]+	241.04862	151.7
[M-H]-	201.07818	145.2
[M+Na-2H]-	223.06013	151.2
[M]+	202.08491	145.2
[M]-	202.08601	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe