CID 121216

Benzamide, o-amino-n-(2-(diethylamino)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C13H21N3O
SMILES
CCN(CC)CCNC(=O)C1=CC=CC=C1N
InChI
InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-7-5-6-8-12(11)14/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
InChIKey
SFYZBSGSNIQFAG-UHFFFAOYSA-N
Compound name
2-amino-N-[2-(diethylamino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

235.16846 Da
Monoisotopic Mass

1.9
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

literature stripe

Patent stripe

patents stripe