CID 74486

Acetamide, n-[4-(1h-imidazol-2-ylazo)phenyl]-

Structural Information

Molecular Formula
C11H11N5O
SMILES
CC(=O)NC1=CC=C(C=C1)N=NC2=NC=CN2
InChI
InChI=1S/C11H11N5O/c1-8(17)14-9-2-4-10(5-3-9)15-16-11-12-6-7-13-11/h2-7H,1H3,(H,12,13)(H,14,17)
InChIKey
KWWZMTLDAQHYAR-UHFFFAOYSA-N
Compound name
N-[4-(1H-imidazol-2-yldiazenyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

229.09636 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.103636 148.1
[M+Na]+ 252.085578 154.9
[M-H]- 228.089084 154.0
[M+NH4]+ 247.130183 164.6
[M+K]+ 268.059518 152.3
[M+H-H2O]+ 212.093620 138.5
[M+HCOO]- 274.094561 175.9
[M+CH3COO]- 288.110211 196.7
[M+Na-2H]- 250.071026 155.4
[M]+ 229.09581142 147.3
[M]- 229.09690858 147.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe