CID 4315161

Acetamide, n-(4-azidophenyl)-

Structural Information

Molecular Formula
C8H8N4O
SMILES
CC(=O)NC1=CC=C(C=C1)N=[N+]=[N-]
InChI
InChI=1S/C8H8N4O/c1-6(13)10-7-2-4-8(5-3-7)11-12-9/h2-5H,1H3,(H,10,13)
InChIKey
STBMXWORHXFHES-UHFFFAOYSA-N
Compound name
N-(4-azidophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

28
Patents

176.06981 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07709 135.2
[M+Na]+ 199.05903 147.2
[M+NH4]+ 194.10363 143.6
[M+K]+ 215.03297 142.8
[M-H]- 175.06253 140.9
[M+Na-2H]- 197.04448 143.2
[M]+ 176.06926 138.2
[M]- 176.07036 138.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe