CID 47002775

4-phenyl-1-(prop-2-yn-1-yl)-1h-imidazol-5-amine

Structural Information

Molecular Formula
C12H11N3
SMILES
C#CCN1C=NC(=C1N)C2=CC=CC=C2
InChI
InChI=1S/C12H11N3/c1-2-8-15-9-14-11(12(15)13)10-6-4-3-5-7-10/h1,3-7,9H,8,13H2
InChIKey
CPLYVZILXKPOIS-UHFFFAOYSA-N
Compound name
5-phenyl-3-prop-2-ynylimidazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.09529 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.102566 145.0
[M+Na]+ 220.084508 155.6
[M-H]- 196.088014 146.1
[M+NH4]+ 215.129113 160.4
[M+K]+ 236.058448 149.6
[M+H-H2O]+ 180.092550 130.2
[M+HCOO]- 242.093491 162.3
[M+CH3COO]- 256.109141 155.7
[M+Na-2H]- 218.069956 148.1
[M]+ 197.09474142 137.8
[M]- 197.09583858 137.8
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

No patent data available for this compound.