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

15
Patents

259.13208 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 160.0
[M+Na]+ 282.12130 165.6
[M-H]- 258.12480 162.2
[M+NH4]+ 277.16590 174.2
[M+K]+ 298.09524 161.9
[M+H-H2O]+ 242.12934 151.2
[M+HCOO]- 304.13028 180.1
[M+CH3COO]- 318.14593 195.1
[M+Na-2H]- 280.10675 161.5
[M]+ 259.13153 158.6
[M]- 259.13263 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.