CID 731496

N-(2,6-diethylphenyl)benzamide

Structural Information

Molecular Formula
C17H19NO
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H19NO/c1-3-13-11-8-12-14(4-2)16(13)18-17(19)15-9-6-5-7-10-15/h5-12H,3-4H2,1-2H3,(H,18,19)
InChIKey
OXQRSNLENDFJRJ-UHFFFAOYSA-N
Compound name
N-(2,6-diethylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

253.14667 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.15395 161.1
[M+Na]+ 276.13589 175.3
[M+NH4]+ 271.18049 169.9
[M+K]+ 292.10983 166.7
[M-H]- 252.13939 166.6
[M+Na-2H]- 274.12134 170.4
[M]+ 253.14612 164.8
[M]- 253.14722 164.8
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