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]+ 198.10257 145.0
[M+Na]+ 220.08451 155.6
[M-H]- 196.08801 146.1
[M+NH4]+ 215.12911 160.4
[M+K]+ 236.05845 149.6
[M+H-H2O]+ 180.09255 130.2
[M+HCOO]- 242.09349 162.3
[M+CH3COO]- 256.10914 155.7
[M+Na-2H]- 218.06996 148.1
[M]+ 197.09474 137.8
[M]- 197.09584 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.