CID 16793194

3-amino-n-[2-(diethylamino)ethyl]benzamide

Structural Information

Molecular Formula
C13H21N3O
SMILES
CCN(CC)CCNC(=O)C1=CC(=CC=C1)N
InChI
InChI=1S/C13H21N3O/c1-3-16(4-2)9-8-15-13(17)11-6-5-7-12(14)10-11/h5-7,10H,3-4,8-9,14H2,1-2H3,(H,15,17)
InChIKey
NFGFDYHTOKACDO-UHFFFAOYSA-N
Compound name
3-amino-N-[2-(diethylamino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

235.16846 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.17574 157.3
[M+Na]+ 258.15768 161.5
[M-H]- 234.16118 161.3
[M+NH4]+ 253.20228 174.6
[M+K]+ 274.13162 160.1
[M+H-H2O]+ 218.16572 149.6
[M+HCOO]- 280.16666 182.8
[M+CH3COO]- 294.18231 203.6
[M+Na-2H]- 256.14313 160.3
[M]+ 235.16791 157.0
[M]- 235.16901 157.0
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