CID 121552251

1864014-56-1

Structural Information

Molecular Formula
C14H17N3O2
SMILES
CC(C)(C)OC(=O)NC1=CN=CN1C2=CC=CC=C2
InChI
InChI=1S/C14H17N3O2/c1-14(2,3)19-13(18)16-12-9-15-10-17(12)11-7-5-4-6-8-11/h4-10H,1-3H3,(H,16,18)
InChIKey
IDSFPQBRGFSBLE-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-phenylimidazol-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

259.13208 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.139356 160.5
[M+Na]+ 282.121298 167.6
[M-H]- 258.124804 165.0
[M+NH4]+ 277.165903 176.1
[M+K]+ 298.095238 165.1
[M+H-H2O]+ 242.129340 152.1
[M+HCOO]- 304.130281 182.2
[M+CH3COO]- 318.145931 195.7
[M+Na-2H]- 280.106746 165.5
[M]+ 259.13153142 161.9
[M]- 259.13262858 161.9
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