CID 447340

Fr221647

Structural Information

Molecular Formula
C14H17N3O2
SMILES
C1=CC=C(C=C1)CC[C@H](CO)N2C=C(N=C2)C(=O)N
InChI
InChI=1S/C14H17N3O2/c15-14(19)13-8-17(10-16-13)12(9-18)7-6-11-4-2-1-3-5-11/h1-5,8,10,12,18H,6-7,9H2,(H2,15,19)/t12-/m1/s1
InChIKey
ZUYUIKKHHBEVHL-GFCCVEGCSA-N
Compound name
1-[(2R)-1-hydroxy-4-phenylbutan-2-yl]imidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

67
Patents

259.13208 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.139356 160.0
[M+Na]+ 282.121298 165.6
[M-H]- 258.124804 162.2
[M+NH4]+ 277.165903 174.2
[M+K]+ 298.095238 161.9
[M+H-H2O]+ 242.129340 151.2
[M+HCOO]- 304.130281 180.1
[M+CH3COO]- 318.145931 195.1
[M+Na-2H]- 280.106746 161.5
[M]+ 259.13153142 158.6
[M]- 259.13262858 158.6
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

No patent data available for this compound.