CID 217168

N-((diethylamino)methyl)benzamide

Structural Information

Molecular Formula
C12H18N2O
SMILES
CCN(CC)CNC(=O)C1=CC=CC=C1
InChI
InChI=1S/C12H18N2O/c1-3-14(4-2)10-13-12(15)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,13,15)
InChIKey
DPZIJAKGEYBYMZ-UHFFFAOYSA-N
Compound name
N-(diethylaminomethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

206.1419 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.149176 148.8
[M+Na]+ 229.131118 153.4
[M-H]- 205.134624 153.2
[M+NH4]+ 224.175723 167.6
[M+K]+ 245.105058 152.4
[M+H-H2O]+ 189.139160 141.5
[M+HCOO]- 251.140101 174.3
[M+CH3COO]- 265.155751 194.9
[M+Na-2H]- 227.116566 153.9
[M]+ 206.14135142 149.5
[M]- 206.14244858 149.5
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