CID 674888

4-tert-butyl-n-(2-furylmethyl)benzamide

Structural Information

Molecular Formula
C16H19NO2
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=CC=CO2
InChI
InChI=1S/C16H19NO2/c1-16(2,3)13-8-6-12(7-9-13)15(18)17-11-14-5-4-10-19-14/h4-10H,11H2,1-3H3,(H,17,18)
InChIKey
SVRFJMBJZYKSBU-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(furan-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

5
Patents

257.14157 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.148846 161.2
[M+Na]+ 280.130788 167.6
[M-H]- 256.134294 168.7
[M+NH4]+ 275.175393 178.4
[M+K]+ 296.104728 165.7
[M+H-H2O]+ 240.138830 154.7
[M+HCOO]- 302.139771 183.9
[M+CH3COO]- 316.155421 197.0
[M+Na-2H]- 278.116236 165.9
[M]+ 257.14102142 163.0
[M]- 257.14211858 163.0
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

patents stripe