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]+ 326.222696 182.7
[M+Na]+ 348.204638 185.2
[M-H]- 324.208144 190.4
[M+NH4]+ 343.249243 196.3
[M+K]+ 364.178578 182.8
[M+H-H2O]+ 308.212680 172.7
[M+HCOO]- 370.213621 207.7
[M+CH3COO]- 384.229271 223.6
[M+Na-2H]- 346.190086 184.0
[M]+ 325.21487142 183.5
[M]- 325.21596858 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.