CID 2057902

N-[3-(diethylamino)propyl]benzamide

Structural Information

Molecular Formula
C14H22N2O
SMILES
CCN(CC)CCCNC(=O)C1=CC=CC=C1
InChI
InChI=1S/C14H22N2O/c1-3-16(4-2)12-8-11-15-14(17)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3,(H,15,17)
InChIKey
QSDABNKMCBDWQI-UHFFFAOYSA-N
Compound name
N-[3-(diethylamino)propyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

234.17322 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.180496 158.1
[M+Na]+ 257.162438 161.8
[M-H]- 233.165944 162.1
[M+NH4]+ 252.207043 175.7
[M+K]+ 273.136378 160.3
[M+H-H2O]+ 217.170480 150.4
[M+HCOO]- 279.171421 182.9
[M+CH3COO]- 293.187071 201.0
[M+Na-2H]- 255.147886 162.1
[M]+ 234.17267142 159.5
[M]- 234.17376858 159.5
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