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

8
Patents

259.13208 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13936 160.5
[M+Na]+ 282.12130 167.6
[M-H]- 258.12480 165.0
[M+NH4]+ 277.16590 176.1
[M+K]+ 298.09524 165.1
[M+H-H2O]+ 242.12934 152.1
[M+HCOO]- 304.13028 182.2
[M+CH3COO]- 318.14593 195.7
[M+Na-2H]- 280.10675 165.5
[M]+ 259.13153 161.9
[M]- 259.13263 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