CID 75480679

2-azido-3-phenylpropanamide

Structural Information

Molecular Formula
C9H10N4O
SMILES
C1=CC=C(C=C1)CC(C(=O)N)N=[N+]=[N-]
InChI
InChI=1S/C9H10N4O/c10-9(14)8(12-13-11)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,14)
InChIKey
OSZORJXDLKSMFZ-UHFFFAOYSA-N
Compound name
2-azido-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

190.08546 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09274 138.1
[M+Na]+ 213.07468 142.9
[M-H]- 189.07818 143.6
[M+NH4]+ 208.11928 156.6
[M+K]+ 229.04862 137.3
[M+H-H2O]+ 173.08272 135.2
[M+HCOO]- 235.08366 168.2
[M+CH3COO]- 249.09931 187.9
[M+Na-2H]- 211.06013 146.6
[M]+ 190.08491 133.7
[M]- 190.08601 133.7
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