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]+ 236.175736 157.3
[M+Na]+ 258.157678 161.5
[M-H]- 234.161184 161.3
[M+NH4]+ 253.202283 174.6
[M+K]+ 274.131618 160.1
[M+H-H2O]+ 218.165720 149.6
[M+HCOO]- 280.166661 182.8
[M+CH3COO]- 294.182311 203.6
[M+Na-2H]- 256.143126 160.3
[M]+ 235.16791142 157.0
[M]- 235.16900858 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