CID 1816834

N-[2-(diethylamino)ethyl]-2-iodobenzamide

Structural Information

Molecular Formula
C13H19IN2O
SMILES
CCN(CC)CCNC(=O)C1=CC=CC=C1I
InChI
InChI=1S/C13H19IN2O/c1-3-16(4-2)10-9-15-13(17)11-7-5-6-8-12(11)14/h5-8H,3-4,9-10H2,1-2H3,(H,15,17)
InChIKey
WNSWOZIBBVUJBI-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

32
Patents

346.0542 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.06148 172.3
[M+Na]+ 369.04342 170.0
[M-H]- 345.04692 169.5
[M+NH4]+ 364.08802 185.0
[M+K]+ 385.01736 174.2
[M+H-H2O]+ 329.05146 161.0
[M+HCOO]- 391.05240 191.6
[M+CH3COO]- 405.06805 209.3
[M+Na-2H]- 367.02887 162.9
[M]+ 346.05365 170.9
[M]- 346.05475 170.9
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