CID 14201101

2-azido-n-phenylacetamide

Structural Information

Molecular Formula
C8H8N4O
SMILES
C1=CC=C(C=C1)NC(=O)CN=[N+]=[N-]
InChI
InChI=1S/C8H8N4O/c9-12-10-6-8(13)11-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)
InChIKey
KMYXAURTWKXBMH-UHFFFAOYSA-N
Compound name
2-azido-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

176.06981 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07709 132.9
[M+Na]+ 199.05903 138.4
[M-H]- 175.06253 139.0
[M+NH4]+ 194.10363 152.3
[M+K]+ 215.03297 132.9
[M+H-H2O]+ 159.06707 130.1
[M+HCOO]- 221.06801 164.9
[M+CH3COO]- 235.08366 184.2
[M+Na-2H]- 197.04448 144.1
[M]+ 176.06926 129.6
[M]- 176.07036 129.6
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