CID 19400

Bencainamide

Structural Information

Molecular Formula
C13H20N2O
SMILES
CCN(CC)CCNC(=O)C1=CC=CC=C1
InChI
InChI=1S/C13H20N2O/c1-3-15(4-2)11-10-14-13(16)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,14,16)
InChIKey
ZDQCKWWIYRSDKD-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

198
Patents

220.15756 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 153.5
[M+Na]+ 243.14678 163.5
[M+NH4]+ 238.19138 161.3
[M+K]+ 259.12072 157.0
[M-H]- 219.15028 156.6
[M+Na-2H]- 241.13223 159.8
[M]+ 220.15701 155.6
[M]- 220.15811 155.6
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

patents stripe