CID 58002

P-amino-n-benzyl-n-(2-(diethylamino)ethyl)benzamide hydrochloride

Structural Information

Molecular Formula
C20H27N3O
SMILES
CCN(CC)CCN(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C20H27N3O/c1-3-22(4-2)14-15-23(16-17-8-6-5-7-9-17)20(24)18-10-12-19(21)13-11-18/h5-13H,3-4,14-16,21H2,1-2H3
InChIKey
LWCIMDNUBAFUQN-UHFFFAOYSA-N
Compound name
4-amino-N-benzyl-N-[2-(diethylamino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.21542 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.22270 182.7
[M+Na]+ 348.20464 185.2
[M-H]- 324.20814 190.4
[M+NH4]+ 343.24924 196.3
[M+K]+ 364.17858 182.8
[M+H-H2O]+ 308.21268 172.7
[M+HCOO]- 370.21362 207.7
[M+CH3COO]- 384.22927 223.6
[M+Na-2H]- 346.19009 184.0
[M]+ 325.21487 183.5
[M]- 325.21597 183.5
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

No patent data available for this compound.