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]+ 191.092736 138.1
[M+Na]+ 213.074678 142.9
[M-H]- 189.078184 143.6
[M+NH4]+ 208.119283 156.6
[M+K]+ 229.048618 137.3
[M+H-H2O]+ 173.082720 135.2
[M+HCOO]- 235.083661 168.2
[M+CH3COO]- 249.099311 187.9
[M+Na-2H]- 211.060126 146.6
[M]+ 190.08491142 133.7
[M]- 190.08600858 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